SCHEMBL8947232

SCHEMBL8947232

CCCCCCCc1ccc(C(=O)NCC(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.55
TRPV1 Q8NER1 1/20 0.53
CA2 P00918 1/20 0.53
THRA P10827 5/20 0.52
THRB P10828 5/20 0.52
RARB P10826 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RARA P10276 1/20 0.52
MAPT P10636 1/20 0.52
MTOR P42345 1/20 0.52
HAO1 Q9UJM8 1/20 0.52
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
PLK3 Q9H4B4 1/20 0.51

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
SCHEMBL15174084 1.00 PLK1 (0.55) PLK1TRPV1CA2THRATHRB
SCHEMBL8947304 0.94 PLK1 (0.62) PLK1TRPV1CA2THRATHRB
SCHEMBL9215324 0.85 RARB (0.59) PLK1TRPV1THRATHRBRARB
SCHEMBL8883017 0.85 THRA (0.63) PLK1TRPV1THRATHRBRARB
SCHEMBL8884118 0.85 RARB (0.59) PLK1TRPV1THRATHRBRARB
SCHEMBL20810562 0.84 SPHK2 (0.54) SPHK2SPHK1
SCHEMBL28562555 0.83 THRA (0.64) PLK1TRPV1THRATHRBRARB
SCHEMBL12638341 0.83 SPHK1 (0.57) PLK1TRPV1THRATHRBRARB
SCHEMBL8769358 0.83 PLK1 (0.57) PLK1THRATHRBHAO1PLK3
SCHEMBL9491031 0.82 L3MBTL1 (0.71) PLK1CA2THRATHRBRARB

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