SCHEMBL9690657

SCHEMBL9690657

CCCCOc1ccc2csc(-c3nnnn3C(C)C(=O)O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 6/20 0.36
PPARA Q07869 5/20 0.36
ALOX5 P09917 2/20 0.35
CASR P41180 1/20 0.34
PTGES O14684 1/20 0.34
MTNR1A P48039 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9690648 0.80 NPSR1 (0.38) NPSR1MAPTPPARGPPARAALOX5
SCHEMBL9689951 0.65 TDP1 (0.41) MAPTPPARA
SCHEMBL9688569 0.63 KDM4E (0.43) MAPTTP53POLB
SCHEMBL9689433 0.63 ALDH1A1 (0.49) MAPTTP53POLB
SCHEMBL15088758 0.62 AKR1C3 (0.78) MTNR1A
SCHEMBL9584965 0.62 AKR1C3 (0.78) MTNR1A
SCHEMBL6836190 0.61 TP53 (0.71) TP53
SCHEMBL347957 0.61 CA12 (0.54) MTNR1A
SCHEMBL10644244 0.60 THRA (0.49) PPARGPPARATP53
SCHEMBL9591536 0.60 AKR1C3 (0.74) MTNR1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed