SCHEMBL11366676

SCHEMBL11366676

CC1COc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.43
▸ NR1H3 Q13133 14/20 0.38
▸ NR1H2 P55055 13/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RORC P51449 3/20 0.35
▸ RORA P35398 1/20 0.33

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
SCHEMBL17026814 0.85 AR (0.49) AR
SCHEMBL15828685 0.81 AR (0.41) AR
SCHEMBL4415891 0.75 GAA (0.42) ARNR1H3NR1H2MEN1ALOX15
SCHEMBL11249086 0.74 MEN1 (0.38) ARNR1H3NR1H2MEN1ALOX15
SCHEMBL8641161 0.74 BRD4 (0.44) AR
SCHEMBL9035064 0.74 AR (0.43) AR
SCHEMBL9035075 0.74 AR (0.43) AR
SCHEMBL11472931 0.73 AR (0.42) ARNR1H3NR1H2MEN1ALOX15
SCHEMBL3626489 0.72 TRPV1 (0.43) ARNR1H3NR1H2MEN1ALOX15
SCHEMBL9845271 0.72 AR (0.41) ARMEN1ALOX15KMT2AHSD17B10

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-4251534-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 — — US disclosed
Send feedback