SCHEMBL31192532

SCHEMBL31192532

CCS(=O)(=O)c1cccc(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.52
ENPP2 Q13822 1/20 0.46
IKBKB O14920 1/20 0.43
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 1/20 0.41
BRD4 O60885 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
S1PR1 P21453 4/20 0.40
NAMPT P43490 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR6 P50406 2/20 0.39
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL19277486 1.00 PSIP1 (0.52) PSIP1ENPP2IKBKBNPC1TNF
SCHEMBL10066425 0.84 PSIP1 (0.56) PSIP1NPC1TNFRAB9ANOD1
SCHEMBL28266014 0.82 PSIP1 (0.54) PSIP1NPC1TNFRAB9ANOD1
SCHEMBL646928 0.82 ALDH1A1 (0.50) ENPP2IKBKBNPC1TNFRAB9A
SCHEMBL8032806 0.82 PTGES2 (0.42) ENPP2IKBKBPTGES2PRSS1PRSS2
SCHEMBL17048453 0.82 ADAMTS4 (0.41) ENPP2IKBKBNPC1TNFRAB9A
SCHEMBL17263850 0.81 PSIP1 (0.68) PSIP1NPC1RAB9ABRD4ALDH1A1
SCHEMBL23214313 0.81 PSIP1 (0.52) PSIP1NPC1TNFRAB9ANOD1
SCHEMBL2642741 0.81 PSIP1 (0.66) PSIP1ENPP2NPC1TNFRAB9A
SCHEMBL10180981 0.81 PSIP1 (0.52) PSIP1NPC1TNFRAB9ANOD1

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
CN-114585603-B Prostaglandin EP4Receptor antagonist compounds 奈克斯拉制药英国有限公司 2024-11-08 CN disclosed