SCHEMBL7929330

SCHEMBL7929330

CC1(C)CCC(C)(C)c2cc(C(/C=C/Br)c3ccc(C#N)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.38
RARG P13631 11/20 0.38
RARA P10276 8/20 0.38
RXRA P19793 5/20 0.38
RXRB P28702 4/20 0.38
CYP26A1 O43174 3/20 0.36
CYP3A4 P08684 3/20 0.36
CRABP2 P29373 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
RXRG P48443 2/20 0.31
CYP19A1 P11511 1/20 0.31
PGR P06401 1/20 0.30
PPARG P37231 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
SCHEMBL7929331 1.00 RARB (0.38) RARBRARGRARARXRARXRB
SCHEMBL7931062 0.85 RXRA (0.40) RARBRARGRARARXRARXRB
SCHEMBL9484150 0.80 RXRA (0.42) RARBRARGRARARXRARXRB
SCHEMBL2223445 0.74 RARB (0.53) RARBRARGRARARXRARXRB
SCHEMBL9483828 0.71 RARB (0.63) RARBRARGRARARXRARXRB
SCHEMBL7922983 0.71 RXRA (0.43) RARBRARGRARARXRARXRB
SCHEMBL10515704 0.71 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL10515701 0.71 RARB (0.58) RARBRARGRARARXRARXRB
SCHEMBL7922809 0.67 RXRA (0.43) RARBRARGRARARXRARXRB
SCHEMBL7931979 0.67 RARB (0.36) RARBRARGRARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP disclosed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed