SCHEMBL20534675

SCHEMBL20534675

COc1c(F)cc(F)cc1C(C)(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.42
CTSA P10619 4/20 0.36
RIPK1 Q13546 3/20 0.35
FFAR4 Q5NUL3 2/20 0.34
NR3C2 P08235 1/20 0.33
FFAR1 O14842 1/20 0.33
STING1 Q86WV6 1/20 0.33

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
Hydrochloric Acid SCHEMBL21632094 0.82 PTGFR (0.45) PTGFRCTSAFFAR4FFAR1
SCHEMBL21632086 0.82 PTGFR (0.39) PTGFRCTSAFFAR4NR3C2FFAR1
SCHEMBL9885325 0.75 PTGS2 (0.39) PTGFR
SCHEMBL5776235 0.72 NR3C1 (0.42) NR3C2
SCHEMBL21656599 0.72 MTNR1A (0.38) PTGFRSTING1
SCHEMBL17006206 0.71 HSD17B10 (0.46) CTSAFFAR4
SCHEMBL21656334 0.71 MTNR1A (0.38) PTGFRNR3C2STING1
SCHEMBL10709397 0.70 HTR7 (0.30)
SCHEMBL379397 0.70 NR3C1 (0.47) FFAR4NR3C2FFAR1
SCHEMBL10254200 0.69 HPGD (0.36) RIPK1NR3C2

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-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed