SCHEMBL7844072

SCHEMBL7844072

CSc1ccc(/C=C(\C(=O)O)c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 1.00
AKR1C1 Q04828 7/20 1.00
AKR1C2 P52895 6/20 1.00
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
PTGS2 P35354 4/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7844074 1.00 AKR1C3 (1.00) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL10950320 0.87 ALDH1A1 (0.83) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL10950323 0.87 ALDH1A1 (0.83) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL7842236 0.86 AKR1C3 (1.00) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL7842239 0.86 AKR1C3 (1.00) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL7847362 0.85 AKR1C3 (0.75) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL3040559 0.85 AKR1C3 (0.75) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL7832711 0.85 AKR1C3 (0.75) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL3040564 0.85 AKR1C3 (0.75) AKR1C3AKR1C1AKR1C2ALDH1A1HTT
SCHEMBL7832708 0.85 AKR1C3 (0.75) AKR1C3AKR1C1AKR1C2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed