SCHEMBL295603

SCHEMBL295603

C#CCc1c(C(=O)O)ccc(C(=O)O)c1CC#C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 1/20 0.39
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
TSHR P16473 4/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL8463288 0.83 CYP1A2 (0.34) CYP1A2ALDH1A1ALOX15
SCHEMBL8464196 0.83 CYP1A2 (0.34) CYP1A2ALDH1A1ALOX15
SCHEMBL8070216 0.79 CYP1A2 (0.34) CYP1A2ALDH1A1ALOX15KLKB1CTSB
SCHEMBL9355802 0.78 CYP1A2 (0.33) CYP1A2
SCHEMBL2397071 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL11853277 0.74 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL28539841 0.74 KDM4E (0.44) CYP1A2ALDH1A1TSHRCA12CA1
SCHEMBL14344103 0.72 FOLH1 (0.53) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL11861719 0.72 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL125463 0.71 CYP1A2 (0.48) CYP1A2ALDH1A1ALOX15SELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3996380-A Alkynyl esters for controlling mites ZOECON CORPORATION (US) 1976-12-07 US claimed
US-11780212-B2 Laminate DAIKIN INDUSTRIES, LTD. (JP) 2023-10-10 US disclosed
EP-3135485-B1 LAMINATE DAIKIN IND LTD (JP) 2019-03-13 EP disclosed
EP-3135485-A1 LAMINATE Daikin Industries, Ltd. (JP) 2017-03-01 EP disclosed
US-20170043560-A1 LAMINATE DAIKIN INDUSTRIES, LTD. (JP) 2017-02-16 US disclosed
CN-103298877-B Fluoro-rubber composite and bladder for use in manufacturing tires BRIDGESTONE CO.,LTD. (JP) 2016-03-09 CN disclosed
EP-1253172-B1 USE OF MOLDED ELASTOMER COMPRISING CROSSLINKABLE FLUOROELASTOMER COMPOSITION FOR SEMICONDUCTOR PRODUCTION APPARATUS DAIKIN IND LTD (JP) 2012-03-14 EP disclosed
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1211292-B1 USE OF A CROSSLINKED ELASTOMER COMPOSITION FOR SEALING A SEMICONDUCTOR PRODUCTION APPARATUS DAIKIN IND LTD (JP) 2006-05-24 EP disclosed
EP-1160285-B1 FLUORORUBBER COMPOSITION DAIKIN IND LTD (JP) 2005-06-29 EP disclosed
US-20050004298-A1 Crosslinkable elastomer composition and molded article produced from same DAIKIN INDUSTRIES, LTD. 2005-01-06 US disclosed
US-6803402-B2 CLEAN CROSSLINKABLE FLUORINE- CONTAINING ELASTOMER COMPOSITION CONTAINING FINE PARTICLES OF ALUMINUM OXIDE WHICH CAN GIVE AN ELASTOMER MOLDED ARTICLE TO BE USED FOR SEMI-CONDUCTOR PRODUCTION APPARATUSES DAIKIN INDUSTRIES, LTD. (JP) 2004-10-12 US disclosed
US-20030045623-A1 Elastomer molded article and crosslinkable fluorine-containing elastomer composition for semi-conductor production apparatuses DAIKIN INDUSTRIES, LTD. (JP) 2003-03-06 US disclosed
US-6503986-B1 Clean sealing material for semi-conductor production apparatuses without using a filler DAIKIN INDUSTRIES, LTD. (JP) 2003-01-07 US disclosed
EP-1253172-A1 MOLDED ELASTOMER FOR SEMICONDUCTOR PRODUCTION APPARATUS AND CROSSLINKABLE FLUOROELASTOMER COMPOSITION Daikin Industries, Ltd. (JP) 2002-10-30 EP disclosed
EP-1211292-A1 CROSSLINKABLE ELASTOMER COMPOSITION AND MOLDED ARTICLE PRODUCED FROM THE COMPOSITION Daikin Industries, Ltd. (JP) 2002-06-05 EP disclosed
EP-1160285-A1 FLUORORUBBER COMPOSITION Daikin Industries, Ltd. (JP) 2001-12-05 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
US-4024278-A Mite control using alkyl esters of alkynyl acids ZOECON CORPORATION (US) 1977-05-17 US disclosed
US-3996380-A Alkynyl esters for controlling mites ZOECON CORPORATION (US) 1976-12-07 US disclosed