SCHEMBL27768786

SCHEMBL27768786

COc1cc(Cl)ccc1C(C)(C)CC(C)(O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.50
NR3C2 P08235 12/20 0.50
PGR P06401 2/20 0.50
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3533666 0.86 NR3C1 (0.54) NR3C1NR3C2PGR
SCHEMBL3529504 0.83 NR3C1 (0.46) NR3C1NR3C2PGRCYP19A1
SCHEMBL3530014 0.79 ALDH1A1 (0.45) NR3C1NR3C2PGR
SCHEMBL18929952 0.77 TRPV4 (0.46) NR3C1NR3C2PGRCYP19A1
SCHEMBL5521708 0.76 NR3C1 (0.72) NR3C1NR3C2PGR
SCHEMBL3954499 0.75 NR3C2 (0.68) NR3C1NR3C2PGR
SCHEMBL5781333 0.75 NR3C1 (0.63) NR3C1NR3C2PGR
SCHEMBL14073623 0.74 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL803017 0.72 TRPV4 (0.56) CYP19A1
SCHEMBL3532217 0.72 NR3C1 (0.54) NR3C1NR3C2PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed