SCHEMBL5721474

SCHEMBL5721474

Cc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(CC(C)C)[CH]2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL5721514 0.89 RXRB (0.31) RXRARXRB
SCHEMBL5721717 0.87 IKBKB (0.38) IKBKBRXRARXRBRXRGHTR2A
SCHEMBL5721156 0.86
SCHEMBL5721089 0.85
SCHEMBL5721646 0.85 RXRA (0.33) RXRARXRBRXRG
SCHEMBL5721567 0.84 IKBKB (0.35) IKBKBRXRARXRBRXRGHTR2A
SCHEMBL5721780 0.83 TACR1 (0.36)
SCHEMBL5721530 0.83 CTSS (0.31) RXRARXRBRXRGHTR2AHTR2C
SCHEMBL5721293 0.82 IKBKB (0.38) IKBKBRXRARXRBRXRGS1PR1
SCHEMBL5721151 0.81 IKBKB (0.34) IKBKBRXRARXRBRXRGHTR2A

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed