SCHEMBL5779746

SCHEMBL5779746

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.41
PGR P06401 3/20 0.41
TRPV1 Q8NER1 8/20 0.39
NR3C2 P08235 1/20 0.35
METTL3 Q86U44 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
SCHEMBL5774962 0.93 NR3C1 (0.46) NR3C1PGRTRPV1NR3C2METTL3
SCHEMBL5779425 0.92 NR3C1 (0.43) NR3C1PGRTRPV1METTL3DHPS
SCHEMBL5798295 0.84 NR3C1 (0.48) NR3C1PGRTRPV1NR3C2METTL3
SCHEMBL5774465 0.83 NR3C1 (0.46) NR3C1PGRTRPV1NR3C2DHPS
SCHEMBL5779751 0.82 TRPV1 (0.34) TRPV1METTL3DHPSRAF1BRAF
SCHEMBL6411423 0.82 NR3C1 (0.46) NR3C1PGRTRPV1DHPSRAF1
SCHEMBL4630288 0.80 NR3C1 (0.49) NR3C1PGRTRPV1NR3C2RAF1
SCHEMBL5777174 0.80 NR3C1 (0.45) NR3C1PGRTRPV1NR3C2DHPS
SCHEMBL6404831 0.79 NR3C1 (0.52) NR3C1PGRTRPV1NR3C2RAF1
SCHEMBL6405434 0.79 NR3C1 (0.52) NR3C1PGRTRPV1DHPS

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