SCHEMBL10464516

SCHEMBL10464516

O=C(O)COc1cccc2c1CCCC2NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.58
HTT P42858 1/20 0.57
LIPG Q9Y5X9 1/20 0.55
TAS1R3 Q7RTX0 4/20 0.53
TAS1R1 Q7RTX1 4/20 0.53
TAS1R2 Q8TE23 4/20 0.53
TBXAS1 P24557 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL10463185 0.90 TAS1R3 (0.56) PTGIRHTTLIPGTAS1R3TAS1R1
SCHEMBL10358029 0.87 DHODH (0.49) PTGIRLIPGTAS1R3TAS1R1TAS1R2
SCHEMBL8600077 0.80 PTGIR (0.52) PTGIRLIPGTAS1R3TAS1R1TAS1R2
SCHEMBL16977037 0.80 PTGDR2 (0.55) PTGIRLIPGTAS1R3TAS1R1TAS1R2
SCHEMBL10357606 0.80 PTGIR (0.52) PTGIRHTTLIPGTBXAS1PTGDR2
SCHEMBL10357301 0.79 HTT (0.67) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL14211188 0.77 PTGDR2 (0.52) PTGIRLIPGTBXAS1PTGDR2LMNA
SCHEMBL1838407 0.77 PTGIR (0.56) PTGIRLIPGTBXAS1PTGDR2
SCHEMBL1838402 0.77 PTGIR (0.56) PTGIRLIPGTBXAS1PTGDR2
SCHEMBL8858726 0.77 PTGIR (0.56) PTGIRTBXAS1PTGDR2KDM4E

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-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed