SCHEMBL11472931

SCHEMBL11472931

CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.42
▸ NR1H3 Q13133 8/20 0.41
▸ NR1H2 P55055 6/20 0.41
▸ GAA P10253 1/20 0.38
▸ RORC P51449 8/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NR1I2 O75469 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
SCHEMBL3625724 0.92 GAA (0.42) ARNR1H3NR1H2GAARORC
SCHEMBL4415891 0.85 GAA (0.42) ARNR1H3NR1H2GAARORC
SCHEMBL6754193 0.85 AR (0.49) ARGAAMEN1MAPK1KMT2A
SCHEMBL6754239 0.85 AR (0.49) ARGAAMEN1MAPK1KMT2A
SCHEMBL6754237 0.85 AR (0.49) ARGAAMEN1MAPK1KMT2A
SCHEMBL13986217 0.80 AR (0.41) ARALOX15HSD17B10ESR1ESR2
SCHEMBL16564686 0.78 GAA (0.46) NR1H3NR1H2GAARORCNR1I2
SCHEMBL11249086 0.75 MEN1 (0.38) ARNR1H3NR1H2RORCMEN1
SCHEMBL11358716 0.74 DRD2 (0.51) ARNR1H3NR1H2GAARORC
SCHEMBL3626397 0.74 NR1H3 (0.42) NR1H3NR1H2GAARORCESR1

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
US-4218448-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 — — US disclosed
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