SCHEMBL7516062

SCHEMBL7516062

CC(=O)/C=C/Sc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
LMNA P02545 5/20 0.63
MAPT P10636 5/20 0.63
NPSR1 Q6W5P4 4/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 2/20 0.63
PLIN1 O60240 1/20 0.63
PLIN5 Q00G26 1/20 0.63
ABHD5 Q8WTS1 1/20 0.63
MEN1 O00255 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54
RELA Q04206 1/20 0.54
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
MAPK1 P28482 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL7516071 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTNPSR1HPGD
Acetic Acid SCHEMBL28747365 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL600479 0.83 ALDH1A1 (0.68) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL600478 0.83 ALDH1A1 (0.68) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL9330897 0.83 ALDH1A1 (0.68) ALDH1A1LMNAMAPTNPSR1HPGD
Water SCHEMBL9776234 0.81 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPSR1HPGD
Water SCHEMBL9776229 0.81 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL28747364 0.80 ALDH1A1 (0.54) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL7513675 0.80 EPHX1 (0.45) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL7513683 0.80 EPHX1 (0.45) ALDH1A1LMNAMAPTNPSR1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8196287-A None JP disclosed
US-8283561-B2 Quantum dot solar cell HONEYWELL INTERNATIONAL INC. (US) 2012-10-09 US disclosed
US-8283561-B2 Quantum dot solar cell HONEYWELL INTERNATIONAL INC. (US) 2012-10-09 US disclosed
US-20090283142-A1 QUANTUM DOT SOLAR CELL HONEYWELL INTERNATIONAL INC. (US) 2009-11-19 US disclosed
EP-0801057-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS SUNTORY LTD (JP) 2002-01-16 EP disclosed
US-6049009-A REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0801057-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS SUNTORY LIMITED (JP) 1997-10-15 EP disclosed
JP-H08196287-A PRODUCTION OF 3-HYDROXY-1-PHENYLTHIO-1-BUTENE USING A MICROORGANISM DAICEL CHEM IND LTD 1996-08-06 JP disclosed