SCHEMBL11799178

SCHEMBL11799178

CCCC(C)CC(C)(C)c1ccc(O)c(C(C)(C)CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
CNR2 P34972 6/20 0.42
ESR1 P03372 13/20 0.40
ESR2 Q92731 5/20 0.40
AR P10275 1/20 0.40
RORC P51449 1/20 0.37

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
SCHEMBL11120826 0.93 RORC (0.40) CNR1CNR2ESR1ESR2AR
SCHEMBL11805922 0.89 ALOX15 (0.42) CNR1CNR2ESR1ESR2AR
SCHEMBL11802377 0.84 CNR1 (0.34) CNR1CNR2
SCHEMBL1837486 0.83 ESR1 (0.50) CNR1CNR2ESR1ESR2AR
SCHEMBL11804137 0.81 CA2 (0.36) CNR1CNR2
SCHEMBL5688957 0.76 ALDH1A1 (0.50) CNR1CNR2ESR1ESR2AR
SCHEMBL1840546 0.74 ESR1 (0.53) CNR1CNR2ESR1ESR2AR
SCHEMBL768278 0.73 CNR2 (0.57) CNR1CNR2ESR1ESR2
SCHEMBL11802536 0.72 TP53 (0.31)
SCHEMBL11806963 0.72 CYP2C9 (0.37) ESR1ESR2

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-3959207-A PHENOLIC COMPOUNDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-05-25 US disclosed