SCHEMBL27704548

SCHEMBL27704548

CC1=CC(C)(C)Nc2c(C)cc(-c3c(C)cccc3F)c(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 19/20 0.44
▸ NR3C1 P04150 6/20 0.39
▸ AR P10275 4/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ NR3C2 P08235 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5506049 0.86 PGR (0.44) PGRNR3C1ARESR1NR3C2
SCHEMBL5502831 0.79 ALDH1A1 (0.38) PGRNR3C1ARNR3C2KDM4E
SCHEMBL5506748 0.75 PGR (0.39) PGRNR3C1ARNR3C2
SCHEMBL27685680 0.75 BRD4 (0.39) PGRNR3C1
SCHEMBL5506240 0.74 PGR (0.39) PGRNR3C1ARNR3C2
SCHEMBL5502297 0.73 PGR (0.56) PGRNR3C1ARNR3C2ALDH1A1
SCHEMBL5500965 0.72 NR3C1 (0.41) PGRNR3C1NR3C2KDM4EALDH1A1
SCHEMBL5503508 0.72 PGR (0.59) PGRNR3C1ESR1KDM4EALDH1A1
SCHEMBL5498846 0.72 PGR (0.43) PGRNR3C1ARESR1NR3C2
SCHEMBL5501313 0.71 AR (0.37) PGRNR3C1ARKDM4EALDH1A1

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
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN claimed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN disclosed
Send feedback