SCHEMBL10843530

SCHEMBL10843530

O=C(c1ccc2c(c1)CCO2)C(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.58
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
TSHR P16473 1/20 0.45
GPR183 P32249 2/20 0.43

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
SCHEMBL11191099 0.85 TAS1R3 (0.59) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL1924077 0.83 PRKCI (0.54) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL11022359 0.82 PRKCI (0.66) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL29503137 0.81 PRKCI (0.69) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL1395976 0.81 PRKCI (0.64) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL2176489 0.81 PRKCI (0.69) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL14044259 0.80 PRKCI (0.58) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL23222198 0.79 PRKCI (0.62) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL102518 0.79 PRKCI (0.62) PRKCITAS1R3TAS1R1RAB9ANPC1
SCHEMBL29793780 0.79 PRKCI (0.62) PRKCITAS1R3TAS1R1RAB9ANPC1

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-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 US claimed