SCHEMBL9856427

SCHEMBL9856427

CCC(C)Sc1ccc(OCCOS(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.38
PPARA Q07869 12/20 0.38
ALOX5 P09917 10/20 0.38
PTPN1 P18031 2/20 0.38
PTGES O14684 7/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10789684 0.80 LTA4H (0.44) PPARGPPARAALOX5PTGESCA12
SCHEMBL10791820 0.79
SCHEMBL10795293 0.79 PPARG (0.42) PPARGPPARAALOX5PTGESCA12
SCHEMBL10795412 0.78 PTPN1 (0.40) PTPN1CA12CA1CA2CA7
SCHEMBL9268482 0.77 PPARG (0.42) PPARGPPARAALOX5PTGES
SCHEMBL9856294 0.77 PPARG (0.39) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9856269 0.77 TAAR1 (0.44) PPARGPPARAALOX5PTGES
SCHEMBL9268024 0.77 NR1I2 (0.49) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9262825 0.75 NPC1 (0.40) PPARGPPARAALOX5PTGESNPC1
SCHEMBL9273996 0.75 ALDH1A1 (0.48) PTPN1TSHRNPC1RAB9AALDH1A1

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed