SCHEMBL7876434

SCHEMBL7876434

CC1(C)CCC(C)(C)c2cc(OC(=O)C=Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.70
RARG P13631 13/20 0.70
RARA P10276 10/20 0.70
RXRA P19793 11/20 0.64
RXRB P28702 8/20 0.64
RXRG P48443 6/20 0.64
CYP26A1 O43174 4/20 0.60
CYP3A4 P08684 3/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
GMNN O75496 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP2D6 P10635 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL7876428 0.93 RARB (0.74) RARBRARGRARARXRARXRB
SCHEMBL7876430 0.93 RARB (0.74) RARBRARGRARARXRARXRB
SCHEMBL7879935 0.86 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL7879932 0.86 RARB (0.60) RARBRARGRARARXRARXRB
SCHEMBL4315172 0.83 RARB (0.75) RARBRARGRARARXRARXRB
SCHEMBL4315169 0.83 RARB (0.75) RARBRARGRARARXRARXRB
SCHEMBL1615595 0.83 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL1615597 0.83 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL1616018 0.83 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL9175151 0.81 RXRA (0.74) 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
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US claimed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed