SCHEMBL5721276

SCHEMBL5721276

CCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(C)[CH]2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
IKBKB O14920 1/20 0.34
ICMT O60725 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AR P10275 1/20 0.31
P2RX1 P51575 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
SCHEMBL5721304 0.90 RXRA (0.35) RXRARXRBRXRGIKBKBDRD2
SCHEMBL5721651 0.84 RXRA (0.35) RXRARXRBRXRGIKBKBICMT
SCHEMBL5721827 0.84 RXRA (0.35) RXRARXRBRXRGIKBKBICMT
SCHEMBL5721553 0.83 RXRA (0.34) RXRARXRBRXRGICMTDRD2
SCHEMBL5721387 0.83 IKBKB (0.40) RXRARXRBRXRGIKBKBCNR1
SCHEMBL5721760 0.82 CNR1 (0.37) RXRARXRBRXRGDRD2HTR2A
SCHEMBL5721400 0.81 HEXA (0.33)
SCHEMBL5721646 0.81 RXRA (0.33) RXRARXRBRXRGICMTAKR1C3
SCHEMBL5721518 0.81 ICMT (0.33) RXRARXRBRXRGICMTDRD2
SCHEMBL5721623 0.81 RXRA (0.33) RXRARXRBRXRGICMTAKR1C3

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