SCHEMBL7803576

SCHEMBL7803576

CCCCCSC(O)(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37

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
SCHEMBL9098590 0.79 KIF11 (0.42) KIF11GAAALDH1A1NPSR1PTGS2
SCHEMBL9109867 0.79 KIF11 (0.42) KIF11GAAALDH1A1NPSR1PTGS2
SCHEMBL9109315 0.79 KIF11 (0.42) KIF11GAAALDH1A1NPSR1PTGS2
SCHEMBL18599373 0.75 KIF11 (0.57) KIF11
Hydrochloric Acid SCHEMBL8885976 0.75 KIF11 (0.41) KIF11GAAALDH1A1NPSR1PTGS2
SCHEMBL26224 0.74 KIF11 (0.55) KIF11
SCHEMBL6909006 0.74 KIF11 (0.55) KIF11
SCHEMBL11708407 0.74 KIF11 (0.38) KIF11PTGS2
Benzylic Acid SCHEMBL27815601 0.74 CYP2C9 (0.55) GAAALDH1A1CHRM2CHRM4CHRM1
Benzylic Acid SCHEMBL27794460 0.74 CYP2C9 (0.55) GAAALDH1A1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed