SCHEMBL8100970

SCHEMBL8100970

CC1(C)CCC(C)(C)c2cc(CN(C(=O)O)C(=O)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.66
RXRB P28702 10/20 0.66
RXRG P48443 7/20 0.66
RARB P10826 11/20 0.60
RARG P13631 11/20 0.60
RARA P10276 8/20 0.60
CYP26A1 O43174 2/20 0.52
CYP3A4 P08684 2/20 0.52
CRABP2 P29373 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL8106336 0.88 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8108593 0.85 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL8839098 0.81 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8459183 0.81 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL8100956 0.80 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL9208986 0.80 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL8461369 0.79 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8674739 0.79 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL8675649 0.77 RXRA (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL8676840 0.75 RXRB (0.71) RXRARXRBRXRGRARBRARG

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-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP claimed
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed