SCHEMBL8947152

SCHEMBL8947152

CCc1ccc(-c2nnnn2CC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPV1 Q8NER1 1/20 0.47
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8947317 0.92 ALDH1A1 (0.57) ALDH1A1HPGDTSHRTRPV1MAPK1
SCHEMBL8947169 0.88 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10TRPV1
SCHEMBL8947240 0.87 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TRPV1MAPK1
SCHEMBL8947063 0.87 ALDH1A1 (0.46) ALDH1A1HPGDTRPV1HSD11B1
SCHEMBL8947288 0.85
SCHEMBL8947149 0.85 ALDH1A1 (0.51) ALDH1A1HPGDTRPV1MAPK1HSD11B1
SCHEMBL8947311 0.85 ALDH1A1 (0.57) ALDH1A1HPGDTSHRTRPV1MAPK1
SCHEMBL8947310 0.85 TRPV1 (0.63) ALDH1A1HPGDTSHRTRPV1HSD11B1
SCHEMBL8947278 0.85 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10TRPV1MAPK1
SCHEMBL8947140 0.85 HSD11B1 (0.59) ALDH1A1HPGDTSHRHSD17B10TRPV1

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