SCHEMBL6934832

SCHEMBL6934832

O=C(O)c1ccc(Sc2cccc(O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA6 P23280 2/20 0.55
CA9 Q16790 2/20 0.55
MGLL Q99685 6/20 0.51
HPGD P15428 3/20 0.50
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KDM4E B2RXH2 1/20 0.49
APEX1 P27695 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1447749 0.85 HPGD (0.66) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL7134403 0.84 HPGD (0.63) CA12CA1CA2CA6CA9
SCHEMBL689927 0.82 HPGD (0.69) CA12CA1CA2CA6CA9
SCHEMBL2865715 0.82 CA12 (0.50) CA12CA1CA2CA6CA9
SCHEMBL14471210 0.82 HPGD (0.61) CA12CA1CA2CA6CA9
SCHEMBL692675 0.81 CSNK2A2 (0.49) MGLLHPGDALDH1A1RARBRARG
SCHEMBL2705979 0.81 HPGD (0.53) HPGDALDH1A1RARBRARGRXRA
SCHEMBL2299032 0.81 NR1H2 (0.64) CA12CA1CA2CA9MGLL
SCHEMBL901050 0.81 CA2 (0.73) CA12CA1CA2CA6CA9
Terephthalic Acid SCHEMBL4640732 0.80 CA12 (0.74) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
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