SCHEMBL8947282

SCHEMBL8947282

COC(=O)Cn1nnnc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.46
TRPV1 Q8NER1 1/20 0.40
VCAM1 P19320 1/20 0.40
PTGS2 P35354 5/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8947163 0.89 TRPV1 (0.39) PTGS1TRPV1VCAM1PTGS2MAPK1
SCHEMBL8947341 0.86 ALDH1A1 (0.53) PTGS1PTGS2CA1CA2ALDH1A1
SCHEMBL8947195 0.81 TRPV1 (0.44) TRPV1MAPK1ALDH1A1HPGDCYP1A2
SCHEMBL8947317 0.80 ALDH1A1 (0.57) TRPV1MAPK1ALDH1A1HPGDPOLB
SCHEMBL8947143 0.80 TRPV1 (0.49) TRPV1MAPK1ALDH1A1HPGDPOLB
SCHEMBL8947174 0.78 ALDH1A1 (0.50) PTGS1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL8947118 0.77 KDM4E (0.42) TRPV1PTGS2MAPK1ALDH1A1HPGD
SCHEMBL8947240 0.76 ALDH1A1 (0.54) TRPV1MAPK1ALDH1A1HPGDPOLB
SCHEMBL5966689 0.76 TRPV1 (0.59) TRPV1ALDH1A1HPGDPOLBCYP1A2
SCHEMBL8947122 0.75 ALDH1A1 (0.47) TRPV1MAPK1ALDH1A1HPGDPOLB

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