SCHEMBL9568852

SCHEMBL9568852

CCCCc1ccc(-c2nnnn2OC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
RARB P10826 2/20 0.43
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL9568787 0.79 HSD11B1 (0.46) HSD11B1PTGS2ALDH1A1HSD17B10
SCHEMBL9568794 0.78 ALDH1A1 (0.51) HSD11B1PTGS2ALDH1A1HPGDHSD17B10
SCHEMBL8791911 0.77 MAPT (0.33) ALDH1A1
SCHEMBL8947316 0.75 ALDH1A1 (0.63) HSD11B1RARBALDH1A1HPGDHSD17B10
SCHEMBL8947063 0.75 ALDH1A1 (0.46) HSD11B1ALDH1A1HPGD
SCHEMBL9568720 0.72 MAPK1 (0.43) HSD11B1ALDH1A1HPGD
SCHEMBL8947078 0.71 ALDH1A1 (0.60) HSD11B1RARBALDH1A1HPGD
SCHEMBL8791602 0.71 L3MBTL1 (0.40) ALDH1A1HPGDHSD17B10
SCHEMBL8947288 0.71
SCHEMBL7114830 0.70 BRD4 (0.40) PTGS2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed