SCHEMBL5779427

SCHEMBL5779427

COc1ccc(C(C)(C)CC(O)(C(CC(C)(CC(O)(C=O)C(F)(F)F)c2ccc(OC)cc2F)Nc2cccc3[nH]ncc23)C(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.35
EP300 Q09472 1/20 0.33
METTL3 Q86U44 1/20 0.33
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
SCHEMBL5779751 0.91 TRPV1 (0.34) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL5774468 0.87 TRPV1 (0.33) TRPV1DHPS
SCHEMBL5779425 0.82 NR3C1 (0.43) TRPV1EP300METTL3DHPSRAF1
SCHEMBL5798295 0.76 NR3C1 (0.48) TRPV1EP300METTL3RAF1BRAF
SCHEMBL5779746 0.74 NR3C1 (0.41) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL3537352 0.72 NR3C1 (0.42)
SCHEMBL5774465 0.70 NR3C1 (0.46) TRPV1DHPS
SCHEMBL5774962 0.67 NR3C1 (0.46) TRPV1METTL3RAF1BRAF
SCHEMBL5801258 0.65 NR3C1 (0.49) TRPV1DHPSRAF1BRAF
SCHEMBL6403409 0.64 NR3C1 (0.50) TRPV1DHPSRAF1BRAF

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