SCHEMBL95987

SCHEMBL95987

[O]CCSc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 1/20 0.70
FFAR1 O14842 1/20 0.50
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
RECQL P46063 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC1 Q13547 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL95856 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL96806 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL776647 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL95505 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL97655 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL15279305 0.79 ALDH1A1 (0.70) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL1931125 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL96046 0.78
SCHEMBL420011 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2
SCHEMBL5169003 0.76 ALDH1A1 (0.74) ALDH1A1MAPK1FFAR1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed
EP-1007530-A1 6-O-SUBSTITUTED ERYTHROMYCIN COMPOUNDS AND METHOD FOR MAKING SAME ABBOTT LABORATORIES (US) 2000-06-14 EP claimed
US-6075011-A 6-O-substituted erythromycin compounds and method for making same ABBOTT LABORATORIES (US) 2000-06-13 US claimed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
WO-1997042206-A1 6-O-SUBSTITUTED ERYTHROMYCIN COMPOUNDS AND METHOD FOR MAKING SAME ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US claimed
EP-0493529-B1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION DU PONT (US) 1995-07-05 EP claimed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0493529-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION. DU PONT (US) 1992-07-08 EP claimed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP claimed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP claimed
US-5028667-A Biodegradable Polymers For Medical Uses And Flexible Films For Packaging E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-02 US claimed
WO-1991005001-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-18 WO claimed
US-9889115-B2 Fitness assay and associated methods BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-13 US disclosed
US-9601706-B2 Resin composition for forming protective film, protective film, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2017-03-21 US disclosed
EP-2613198-B1 PHOTOSENSITIVE RESIN COMPOSITION, OXIME SULFONATE COMPOUND, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORP (JP) 2016-12-28 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed