SCHEMBL9309420

SCHEMBL9309420

Cc1cc(-c2cccc(O)c2)c(-c2cccc(O)c2)c(C)c1OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.40
HSD17B2 P37059 7/20 0.40
SRC P12931 2/20 0.39
INPPL1 O15357 2/20 0.37
INPP5B P32019 1/20 0.37
INPP5A Q14642 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLQ O75417 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3758503 0.86 MAOA (0.41) SRCINPPL1INPP5BINPP5AMAOA
SCHEMBL9310740 0.84 HSD17B1 (0.42) HSD17B1HSD17B2SRCINPPL1INPP5B
SCHEMBL752773 0.78 SRC (0.43) SRCINPPL1INPP5BINPP5ACYP3A4
SCHEMBL3756440 0.76 SRC (0.41) SRCINPPL1INPP5BINPP5AMAOA
SCHEMBL29225323 0.75 SRC (0.45) SRCINPPL1INPP5BINPP5AKDM4E
SCHEMBL9308571 0.74 INPPL1 (0.41) HSD17B1HSD17B2INPPL1INPP5BINPP5A
SCHEMBL9309598 0.74 INPPL1 (0.40) HSD17B1HSD17B2INPPL1INPP5BINPP5A
Resorcinol SCHEMBL1458397 0.74 SRC (0.50) HSD17B1HSD17B2SRCINPPL1INPP5B
SCHEMBL9307758 0.73 INPPL1 (0.46) HSD17B1HSD17B2SRCINPPL1INPP5B
SCHEMBL1681135 0.72 GPR84 (0.40) SRCINPPL1INPP5BINPP5AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278212-A Hydroxy phenyl organo phosphorus compound ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-01-11 US disclosed