SCHEMBL3841100

SCHEMBL3841100

CC(=C(C[O])c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.43
CES2 O00748 4/20 0.43
ESR1 P03372 3/20 0.42
PTGS2 P35354 3/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 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
SCHEMBL3841099 1.00 CES1 (0.43) CES1CES2ESR1PTGS2ATM
SCHEMBL28148537 0.79 ESR1 (0.53) CES1CES2ESR1PTGS2ATM
SCHEMBL16857587 0.77 ESR1 (0.57) ESR1PTGS2ATMCYP1A2CYP2D6
SCHEMBL9317931 0.76 ESR1 (0.56) CES1CES2ESR1PTGS2HPGD
SCHEMBL3902058 0.74 ESR1 (0.56) CES1CES2ESR1PTGS2HSD17B10
SCHEMBL1035354 0.74 ESR1 (0.56) CES1CES2ESR1PTGS2HSD17B10
SCHEMBL11844374 0.74 ESR1 (0.56) CES1CES2ESR1PTGS2HSD17B10
SCHEMBL15200205 0.74 ESR1 (0.39) CES1CES2ESR1PTGS2ATM
SCHEMBL11197182 0.72 ESR1 (0.38) CES1CES2ESR1PTGS2HPGD
SCHEMBL11197184 0.72 ESR1 (0.38) CES1CES2ESR1PTGS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101689411-A Organic insulating material, varnish for organic insulating film using the same, organic insulating film, and semiconductor device SUMITOMO BAKELITE CO 2010-03-31 CN disclosed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed