SCHEMBL8947251

SCHEMBL8947251

COC(=O)Cn1nnnc1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 4/20 0.43
HSP90B1 P14625 2/20 0.43
TRAP1 Q12931 2/20 0.43
HSD11B1 P28845 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 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
SCHEMBL8947338 0.88 ALDH1A1 (0.59) ALDH1A1HPGDHSP90AA1HSD11B1PSEN1
SCHEMBL8947309 0.85 HSP90AA1 (0.53) TRPV1ALDH1A1HPGDHSP90AA1HSP90B1
SCHEMBL8947317 0.85 ALDH1A1 (0.57) TRPV1ALDH1A1HPGDHSD11B1POLB
SCHEMBL8947240 0.81 ALDH1A1 (0.54) TRPV1ALDH1A1HPGDHSD11B1POLB
SCHEMBL8947311 0.79 ALDH1A1 (0.57) TRPV1ALDH1A1HPGDHSD11B1CYP1A2
SCHEMBL8947140 0.79 HSD11B1 (0.59) TRPV1ALDH1A1HPGDHSD11B1PTGS2
SCHEMBL8947278 0.79 ALDH1A1 (0.70) TRPV1ALDH1A1HPGDHSD11B1POLB
SCHEMBL8947310 0.79 TRPV1 (0.63) TRPV1ALDH1A1HPGDHSD11B1POLB
SCHEMBL8947149 0.79 ALDH1A1 (0.51) TRPV1ALDH1A1HPGDHSD11B1POLB
SCHEMBL5966689 0.79 TRPV1 (0.59) TRPV1ALDH1A1HPGDHSD11B1POLB

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