SCHEMBL6932297

SCHEMBL6932297

O=C(O)c1ccccc1Sc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.65
CYSLTR1 Q9Y271 11/20 0.61
CYSLTR2 Q9NS75 7/20 0.61
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL6932236 0.88 CYSLTR1 (0.65) GPBAR1CYSLTR1CYSLTR2KDM4EMEN1
SCHEMBL6935065 0.85 GPBAR1 (0.85) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6934343 0.84 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7454590 0.83 GPBAR1 (0.74) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6932157 0.81 FFAR1 (0.67) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL421067 0.79 GPBAR1 (1.00) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9022146 0.78 GPBAR1 (0.66) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9581618 0.78 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9581634 0.78 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6932836 0.77 CYSLTR1 (0.51) GPBAR1CYSLTR1CYSLTR2KDM4EMEN1

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