SCHEMBL7952084

SCHEMBL7952084

COc1c(C)cc(CCC(=O)O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.58
THRB P10828 17/20 0.58
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
FFAR4 Q5NUL3 2/20 0.46
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3669296 0.90 NPSR1 (0.52) THRATHRBFFAR4
SCHEMBL7073649 0.84 THRB (0.61) THRATHRBNR3C1ALOX15TSHR
SCHEMBL7953719 0.84 ALDH1A1 (0.48) THRATHRB
SCHEMBL7792155 0.79 FFAR1 (0.44) THRATHRBFFAR4
SCHEMBL3683664 0.79 THRA (0.50) THRATHRBESR1NR3C1PGR
SCHEMBL10750673 0.78 NPC1 (0.50) THRATHRBNR3C1NR3C2FFAR4
SCHEMBL27846789 0.78 NPSR1 (0.53) THRATHRBFFAR4
SCHEMBL5859480 0.78 THRA (0.64) THRATHRBESR1NR3C1PGR
SCHEMBL4899318 0.77 THRB (0.71) THRATHRBESR1NR3C1PGR
SCHEMBL14553370 0.76 FFAR1 (0.55) THRATHRBFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed