SCHEMBL8627781

SCHEMBL8627781

CCC(C(=O)O)=C(C(=O)O)N(CC)c1ccc(F)c(Cl)c1CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32

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
SCHEMBL8621817 0.87 ALDH1A1 (0.30)
SCHEMBL8624624 0.82 P2RX7 (0.36) P2RX7
SCHEMBL9084110 0.74 TSHR (0.42)
SCHEMBL9128732 0.71
SCHEMBL1616812 0.70 CYP3A4 (0.37)
SCHEMBL9128725 0.69 MAPT (0.32)
SCHEMBL8624414 0.69 OPRM1 (0.33)
SCHEMBL8581107 0.68 ALDH1A1 (0.59)
SCHEMBL91338 0.64 P2RX7 (0.37) P2RX7
SCHEMBL3337887 0.63 ALDH1A1 (0.41) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP disclosed
EP-0684942-A4 1995-12-27 EP disclosed
EP-0684942-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1995-12-06 EP disclosed
US-5430152-A Heating aminoarylester in presence of chlorosulfonic acid, oleum HOECHST CELANESE CORPORATION (US) 1995-07-04 US disclosed
WO-1994019312-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1994-09-01 WO disclosed