SCHEMBL6737849

SCHEMBL6737849

CC1(C)CCC(C)(C)c2cc(C(O)/C=C/c3ccc(C(=O)O)c(O)c3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.72
RARG P13631 12/20 0.72
RARA P10276 11/20 0.72
RXRA P19793 7/20 0.49
RXRB P28702 1/20 0.46
PTPN1 P18031 1/20 0.44
CYP26A1 O43174 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP26B1 Q9NR63 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL6737853 1.00 RARB (0.72) RARBRARGRARARXRARXRB
SCHEMBL6737856 1.00 RARB (0.72) RARBRARGRARARXRARXRB
SCHEMBL12572388 0.84 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL18495719 0.84 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL1406724 0.82 RARB (0.50) RARBRARGRARARXRARXRB
SCHEMBL1406727 0.82 RARB (0.50) RARBRARGRARARXRARXRB
SCHEMBL1406840 0.82 RARB (0.49) RARBRARGRARARXRARXRB
SCHEMBL1406839 0.82 RARB (0.49) RARBRARGRARARXRARXRB
SCHEMBL1406933 0.81 RARA (0.48) RARBRARGRARARXRAPTPN1
SCHEMBL1406932 0.81 RARA (0.48) RARBRARGRARARXRAPTPN1

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-6686386-B1 COMBATING PHOTOINDUCED OR CHRONOLOGICAL AGEING OF SKIN WITH RETENOIC ACID RECEPTOR AGONIST GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-03 US claimed