SCHEMBL5721290

SCHEMBL5721290

CCCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(C(C)CC)[CH]2

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2D6 P10635 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL5721263 0.92 CTSS (0.33) CTSSCTSKDRD2HTR2AHTR2C
SCHEMBL5721623 0.91 RXRA (0.33) RXRARXRBRXRG
SCHEMBL5721521 0.90
SCHEMBL5721614 0.85 IKBKB (0.34) RXRARXRBRXRG
SCHEMBL5721715 0.84 PDE2A (0.34)
SCHEMBL5721703 0.83
SCHEMBL5721329 0.83 AKR1C3 (0.30)
SCHEMBL5721607 0.82 HTR1D (0.30)
SCHEMBL5721233 0.82
SCHEMBL5721304 0.82 RXRA (0.35) CTSSCTSKDRD2HTR2AHTR2C

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