SCHEMBL8089458

SCHEMBL8089458

O=C(O)C(O)=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP1B1 Q16678 1/20 0.50
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
SRD5A2 P31213 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 3/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL3678944 1.00 ALOX15 (0.52) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL3678941 1.00 ALOX15 (0.52) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL3305717 0.80 NFE2L2 (0.64) TSHRCYP1B1GAACES2CES1
SCHEMBL3305722 0.80 NFE2L2 (0.64) TSHRCYP1B1GAACES2CES1
SCHEMBL3305728 0.80 NFE2L2 (0.64) TSHRCYP1B1GAACES2CES1
SCHEMBL11154856 0.80 ALDH1A1 (0.54) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL11154858 0.80 ALDH1A1 (0.54) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL2235288 0.80 GAA (0.50) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL2235285 0.80 GAA (0.50) ALOX15TSHRCYP1B1GAAPOLB
SCHEMBL8105255 0.79 MAPT (0.58) CES2CES1ALDH1A1MAPTCYP1A2

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
WO-2026087634-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
US-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US disclosed
EP-0858442-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997017316-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 WO disclosed