SCHEMBL8928152

SCHEMBL8928152

CC[C@H](C)Cc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.38
NR3C2 P08235 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
SNCA P37840 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
S1PR3 Q99500 1/20 0.33
PGR P06401 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
SCHEMBL6681082 1.00 NR3C1 (0.38) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL21358833 0.84 CYP1A2 (0.39) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL2986685 0.83 CYP1A2 (0.41) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL2337810 0.82 ALDH1A1 (0.38) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL9350379 0.82 CA2 (0.34) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL1607817 0.81 ALDH1A1 (0.41) CYP2C19SNCACA1CA2CA7
SCHEMBL9812256 0.80 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL8686442 0.80 CYP1A2 (0.37) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL8686868 0.80 CYP1A2 (0.37) NR3C1NR3C2CYP1A2CYP3A4CYP2D6
SCHEMBL28222878 0.80 ALDH1A1 (0.38) NR3C1CYP1A2CYP3A4CYP2D6ALOX15

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-5693251-A LIQUID CRYSTAL DISPLAYS; HIGH SPEED RESPONSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-02 US disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed