SCHEMBL9742175

SCHEMBL9742175

CC=CCc1cc(O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PRKCI P41743 1/20 0.39
TYR P14679 2/20 0.39
HTT P42858 2/20 0.39
ACHE P22303 1/20 0.38
ALOX15 P16050 3/20 0.38
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL9742172 1.00 EGFR (0.43) EGFRGABRA1GABRB2PTGS1PTGS2
SCHEMBL14283741 1.00 EGFR (0.43) EGFRGABRA1GABRB2PTGS1PTGS2
SCHEMBL27835934 0.86 CYP3A4 (0.39) EGFRTYRACHECYP3A4
SCHEMBL11126248 0.84 EGFR (0.43) EGFRGABRA1GABRB2PTGS1PTGS2
SCHEMBL9744031 0.84 TYR (0.54) TYRHTTALOX15ALOX5CYP3A4
SCHEMBL8413465 0.84 PRKCI (0.56) GABRA1GABRB2PTGS1PTGS2PRKCI
SCHEMBL9744034 0.84 TYR (0.54) TYRHTTALOX15ALOX5CYP3A4
SCHEMBL6029153 0.80 EGFR (0.43) EGFRGABRA1GABRB2PTGS1PTGS2
SCHEMBL6029157 0.80 EGFR (0.43) EGFRGABRA1GABRB2PTGS1PTGS2
SCHEMBL8570848 0.79 POLB (0.59) PTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed