SCHEMBL10694317

SCHEMBL10694317

COc1ccc([C@H]2Oc3ccccc3[C@@H]2CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.49
EDNRB P24530 2/20 0.49
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ATM Q13315 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
MIF P14174 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 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
SCHEMBL10694322 1.00 EDNRA (0.49) EDNRAEDNRBGABRA1GABRB2ATM
SCHEMBL10694325 1.00 EDNRA (0.49) EDNRAEDNRBGABRA1GABRB2ATM
SCHEMBL10692553 0.86 ATM (0.49) ATMMEN1KMT2AMAPTNPC1
SCHEMBL10692539 0.86 ATM (0.49) ATMMEN1KMT2AMAPTNPC1
SCHEMBL10692220 0.86 ATM (0.49) ATMMEN1KMT2AMAPTNPC1
SCHEMBL10655154 0.85 ABCB1 (0.39) EDNRAHTT
SCHEMBL10655166 0.85 ABCB1 (0.39) EDNRAHTT
SCHEMBL10656603 0.85 ABCB1 (0.39) EDNRAHTT
SCHEMBL10655141 0.85 ABCB1 (0.39) EDNRAHTT
SCHEMBL10695009 0.85 ABCB1 (0.39) EDNRAHTT

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
EP-0264234-A1 Novel benzofurans and a novel method of preparation EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-04-20 EP disclosed