SCHEMBL22294669

SCHEMBL22294669

O=CCc1ccc(-c2cc(F)ccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F10 P00742 1/20 0.37
SLC9A1 P19634 1/20 0.36
TRPA1 O75762 1/20 0.36
HTR2A P28223 1/20 0.35
GRM2 Q14416 1/20 0.35
MAOB P27338 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
PTGS2 P35354 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PTGS1 P23219 1/20 0.34
FFAR1 O14842 2/20 0.34
FDFT1 P37268 1/20 0.34

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
SCHEMBL10436027 0.86 GRM2 (0.47) CA1CA2F10HTR2AGRM2
SCHEMBL17493553 0.79 FFAR1 (0.55) FFAR4FFAR1
SCHEMBL17423600 0.78 MAOB (0.48) TRPA1MAOBTAAR1
SCHEMBL24766983 0.78 CA3 (0.44) CA5ACA9CA5BMAOBPTPN1
SCHEMBL1133454 0.78 PTGS1 (0.51) PTPN1PPARGPTGS2PTGS1
SCHEMBL7409593 0.78 ALDH1A1 (0.49) GRM2PTPN1PPARG
SCHEMBL11671157 0.78 GCGR (0.46) CA12CA1CA2CA5ACA9
SCHEMBL1177329 0.76 RXRA (0.50) CA12CA1CA2CA5ACA9
SCHEMBL30780084 0.76 RXRA (0.50) CA12CA1CA2CA5ACA9
SCHEMBL418183 0.76 TRPA1 (0.48) TRPA1MAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4209491-A1 ENANTIOMERS OF SUBSTITUTED THIAZOLES AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-07-12 EP disclosed
WO-2022090409-A1 DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS INNOVATIVE MOLECULES GMBH (DE) 2022-05-05 WO disclosed
EP-3440063-B1 AMINOTHIAZOLE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INNOVATIVE MOLECULES GMBH (DE) 2020-08-05 EP disclosed