SCHEMBL9476368

SCHEMBL9476368

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3ccccc3OC)N2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 3/20 0.38
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MCL1 Q07820 1/20 0.37
ALPL P05186 1/20 0.37
TERT O14746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9476099 0.92 POLB (0.40) TP53PTGDR2FFAR1MAPTGAA
SCHEMBL9475146 0.91 PTGDR2 (0.42) TP53PTGDR2FFAR1MAPTEPHX1
SCHEMBL9475728 0.90 ABL1 (0.41) PTGDR2FFAR1MAPTEPHX1GAA
SCHEMBL9476315 0.89 MAPT (0.41) PTGDR2FFAR1MAPTEPHX1GAA
SCHEMBL9476024 0.87 ALDH1A1 (0.41) PTGDR2FFAR1EPHX1GAAPOLB
SCHEMBL9476282 0.86 SMN1; SMN2 (0.41) PTGDR2MAPTGAAPOLBALDH1A1
SCHEMBL9476156 0.86 FFAR1 (0.38) PTGDR2FFAR1MAPTEPHX1GAA
SCHEMBL9476961 0.86 FFAR1 (0.44) TP53PTGDR2FFAR1MAPTEPHX1
SCHEMBL9476027 0.84 TP53 (0.40) TP53PTGDR2FFAR1MAPTGAA
SCHEMBL9475423 0.83 ALDH1A1 (0.39) TP53PTGDR2FFAR1MAPTGAA

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-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed