SCHEMBL5779751

SCHEMBL5779751

COc1ccc(C(C)(C)CC(O)(C(CC(C)(CC(O)(C=O)C(F)(F)F)c2ccc(OC)cc2Cl)Nc2cccc3[nH]ncc23)C(F)(F)F)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.34
METTL3 Q86U44 1/20 0.32
DHPS P49366 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 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
SCHEMBL5779427 0.91 TRPV1 (0.35) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL5774468 0.84 TRPV1 (0.33) TRPV1DHPS
SCHEMBL5779746 0.82 NR3C1 (0.41) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL5774962 0.76 NR3C1 (0.46) TRPV1METTL3RAF1BRAF
SCHEMBL5779425 0.74 NR3C1 (0.43) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL5775583 0.72 NR3C1 (0.40)
SCHEMBL5798295 0.67 NR3C1 (0.48) TRPV1METTL3RAF1BRAF
SCHEMBL5774465 0.66 NR3C1 (0.46) TRPV1DHPS
SCHEMBL6411423 0.65 NR3C1 (0.46) TRPV1DHPSRAF1BRAF
SCHEMBL6404831 0.64 NR3C1 (0.52) TRPV1RAF1BRAF

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-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed