SCHEMBL7794239

SCHEMBL7794239

CC1(C)CCC(C)(C)c2cc(-c3[c]ccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 11/20 0.40
RARB P10826 11/20 0.40
RARG P13631 10/20 0.40
RXRA P19793 6/20 0.40
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
PGR P06401 3/20 0.35

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
SCHEMBL10438757 0.79 RARB (0.42) RARARARBRARGRXRAABCB1
SCHEMBL448167 0.77 TSHR (0.47) RARARARBRARGRXRARXRB
SCHEMBL3277951 0.76 APP (0.44)
SCHEMBL6321027 0.75 ACHE (0.50)
SCHEMBL9476182 0.74 APP (0.50)
SCHEMBL8072424 0.73 POLB (0.39)
SCHEMBL6373056 0.73 TSHR (0.53)
SCHEMBL5846459 0.73 RARB (0.60) RARARARBRARGRXRARXRB
SCHEMBL11385468 0.72 POLB (0.46)
SCHEMBL10577172 0.72 HSPB1 (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952974-B1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2001-11-21 EP disclosed
EP-0952974-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP disclosed
WO-1999010308-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 WO disclosed