SCHEMBL10702109

SCHEMBL10702109

CCCCCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2CC)c(CC)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.45
CNR1 P21554 17/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL10697703 0.96 CNR2 (0.48) CNR2CNR1ESR1ESR2
SCHEMBL4306774 0.89 CNR2 (0.44) CNR2CNR1ESR1ESR2
SCHEMBL10699000 0.87 CNR2 (0.46) CNR2CNR1ESR1ESR2
SCHEMBL10699426 0.87 CNR2 (0.44) CNR2CNR1ESR1ESR2
SCHEMBL10698530 0.85 CNR2 (0.44) CNR2CNR1ESR1ESR2
SCHEMBL10627654 0.84 CYP2D6 (0.41) ESR1ESR2
SCHEMBL10699661 0.77 ALDH1A1 (0.48)
SCHEMBL501783 0.75 CNR2 (0.45) CNR2CNR1
SCHEMBL502028 0.75 CNR2 (0.42) CNR2CNR1
SCHEMBL23408935 0.73 ALDH1A1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260651-A2 Process for the preparation of a composition of parabutylated and octylated, ortho-ethylated diphenylamines The B.F. GOODRICH Company (US) 1988-03-23 EP claimed
US-4704219-A Novel composition of para-butylated and octylated, ortho-ethylated diphenylamines THE B. F. GOODRICH COMPANY 1987-11-03 US claimed
EP-0260651-A2 Process for the preparation of a composition of parabutylated and octylated, ortho-ethylated diphenylamines The B.F. GOODRICH Company (US) 1988-03-23 EP disclosed
US-4704219-A Novel composition of para-butylated and octylated, ortho-ethylated diphenylamines THE B. F. GOODRICH COMPANY 1987-11-03 US disclosed