SCHEMBL6761685

SCHEMBL6761685

CCCCCCCCCCCCCCCCCCOc1ccc(N(CC(=O)O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.51
BLM P54132 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 9/20 0.49
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 1/20 0.47
RARB P10826 3/20 0.47
PLA2G4A P47712 1/20 0.45

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
SCHEMBL11647026 0.89 PLA2G4B (0.41) PLA2G2ABLMPLA2G4BPLA2G4A
SCHEMBL6761751 0.88 TP53 (0.45) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3813554 0.86 NR1H2 (0.41)
SCHEMBL11649618 0.81 PTPN1 (0.42)
SCHEMBL3660817 0.80 KEAP1 (0.49) TSHR
SCHEMBL11750518 0.80 SMN1; SMN2 (0.41) BLMTP53
SCHEMBL191548 0.79 MAOB (0.50)
SCHEMBL9972488 0.79 PLA2G2A (0.74) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL6761753 0.78 TP53 (0.47) TP53TSHRPLA2G4BS1PR4S1PR1
SCHEMBL6494515 0.77 S1PR4 (0.49) TP53TSHRPLA2G4BS1PR4S1PR1

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-6720424-B1 VEGF (VASCULAR ENDOTHELIAL GROWTH FACTOR) RECEPTOR ANTAGONISTS AND ANGIOGENESIS INHIBITORS SUPPRESS VASCULAR HYPERPERMEABILITY; PHENYLALKYLCARBONYL SUBSTITUENT ON THE AMINO TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-13 US disclosed
EP-1193246-A1 AMINOBENZOIC ACID DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-04-03 EP disclosed