SCHEMBL8074574

SCHEMBL8074574

CCc1ccc(-c2cc[c]c(C(F)(F)F)c2)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HSD17B1 P14061 2/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL8066042 0.78 HSD17B1 (0.33) HSD17B1
SCHEMBL3678973 0.76 AR (0.47) AR
SCHEMBL8074381 0.75 RXRA (0.34) RXRARXRBRXRG
SCHEMBL10916725 0.74 HSD17B1 (0.45) RXRARXRBHSD17B1AR
SCHEMBL2431524 0.74 PDK2 (0.35) AR
SCHEMBL15063608 0.73 AR (0.32) AR
SCHEMBL8079296 0.73 HSD17B1 (0.41) RXRARXRBHSD17B1AR
SCHEMBL8079532 0.73 AR (0.33) AR
SCHEMBL2428524 0.73 KIF11 (0.37) HSD17B1
SCHEMBL16445402 0.73 PTGS2 (0.31) AR

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed