SCHEMBL6932397

SCHEMBL6932397

O=C(O)Cc1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.76
CAMK2A Q9UQM7 1/20 0.76
NR1H2 P55055 1/20 0.56
CYP26A1 O43174 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
AKR1B1 P15121 1/20 0.50
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
CTBP2 P56545 1/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RGS12 O14924 1/20 0.47
MAPT P10636 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
SCHEMBL13464286 0.92 CA2 (0.60) CA2CAMK2ACYP26A1AKR1B1LMNA
SCHEMBL75700 0.87 CA2 (1.00) CA2CAMK2AFNTAFNTBAKR1B1
Hydrogen Peroxide SCHEMBL27765042 0.87 CA2 (1.00) CA2CAMK2AFNTAFNTBAKR1B1
SCHEMBL21114405 0.87 CA2 (1.00) CA2CAMK2AFNTAFNTBAKR1B1
SCHEMBL11301868 0.86 AKR1B1 (0.64) CA2CAMK2ACYP26A1AKR1B1LMNA
Water SCHEMBL27786848 0.85 CA2 (0.95) CA2CAMK2AFNTAFNTBAKR1B1
SCHEMBL7648201 0.85 CA2 (0.95) CA2CAMK2AFNTAFNTBAKR1B1
Benzene SCHEMBL28272878 0.85 CA2 (0.95) CA2CAMK2AFNTAFNTBAKR1B1
SCHEMBL3811950 0.85 CA2 (0.95) CA2CAMK2AFNTAFNTBAKR1B1
Methane SCHEMBL6154008 0.85 CA2 (0.95) CA2CAMK2AFNTAFNTBAKR1B1

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