SCHEMBL8947303

SCHEMBL8947303

CCCCCCCOc1ccc(C(=O)NCC(=O)OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.67
POLB P06746 1/20 0.65
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 1/20 0.58
PPARG P37231 2/20 0.56
PPARA Q07869 1/20 0.56
RARB P10826 3/20 0.56

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
SCHEMBL8947350 0.96 MMP1 (0.72) MMP1POLB
SCHEMBL19781425 0.87 MMP1 (0.68) MMP1POLBTP53TSHRPLA2G4B
SCHEMBL1000025 0.87 MMP1 (0.68) MMP1POLBTP53TSHRPLA2G4B
SCHEMBL28570651 0.85 NPC1 (0.68) MMP1TP53TSHRPLA2G4B
SCHEMBL12638372 0.85 MMP1 (0.65) MMP1POLBTP53TSHRPLA2G4B
SCHEMBL12243300 0.84 MMP1 (0.64) MMP1POLBTP53TSHRPLA2G4B
SCHEMBL11758823 0.84 NPC1 (0.72) MMP1TP53TSHRPLA2G4B
SCHEMBL9490019 0.84 NPC1 (0.72) MMP1TP53TSHRPLA2G4B
SCHEMBL12672309 0.84 SPHK1 (0.65) MMP1POLBTP53TSHRPLA2G4B
SCHEMBL13569633 0.84 SPHK1 (0.65) MMP1POLBTP53TSHRPLA2G4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed