SCHEMBL5779425

SCHEMBL5779425

COc1ccc(C(C)(C)CC(O)(C=O)C(F)(F)F)c(F)c1.COc1ccc(C(C)(C)CC(O)(CNc2cccc3[nH]ncc23)C(F)(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.43
PGR P06401 2/20 0.43
TRPV1 Q8NER1 8/20 0.39
METTL3 Q86U44 1/20 0.35
EP300 Q09472 1/20 0.35
DHPS P49366 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 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
SCHEMBL5798295 0.93 NR3C1 (0.48) NR3C1PGRTRPV1METTL3EP300
SCHEMBL5779746 0.92 NR3C1 (0.41) NR3C1PGRTRPV1METTL3DHPS
SCHEMBL5774465 0.87 NR3C1 (0.46) NR3C1PGRTRPV1DHPS
SCHEMBL5774962 0.84 NR3C1 (0.46) NR3C1PGRTRPV1METTL3RAF1
SCHEMBL5779427 0.82 TRPV1 (0.35) TRPV1METTL3EP300DHPSRAF1
SCHEMBL5801258 0.82 NR3C1 (0.49) NR3C1PGRTRPV1DHPSRAF1
SCHEMBL6405053 0.80 NR3C1 (0.55) NR3C1PGRRAF1BRAF
SCHEMBL5780477 0.80 NR3C1 (0.60) NR3C1PGR
SCHEMBL6403409 0.79 NR3C1 (0.50) NR3C1PGRTRPV1DHPSRAF1
SCHEMBL5797178 0.79 NR3C1 (0.51) NR3C1PGRTRPV1

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