SCHEMBL6575696

SCHEMBL6575696

Cc1ccc(N2CCC(C)(C)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.46
RARG P13631 14/20 0.46
RARA P10276 12/20 0.46
CYP26A1 O43174 2/20 0.44
CYP26B1 Q9NR63 1/20 0.44
RXRA P19793 10/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 4/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL6578039 0.90 RXRA (0.43) RARBRARGRARACYP26A1CYP26B1
SCHEMBL6577986 0.88 RARB (0.59) RARBRARGRARACYP26A1RXRA
SCHEMBL6575669 0.88 RARB (0.59) RARBRARGRARACYP26A1RXRA
SCHEMBL6578025 0.87 RARB (0.65) RARBRARGRARACYP26A1CYP26B1
SCHEMBL6578064 0.79 HTR2B (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL3341864 0.78 RARB (0.52) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9057636 0.78 RARB (0.43) RARBRARGRARACYP26A1RXRA
SCHEMBL6574370 0.77 RARB (0.67) RARBRARGRARACYP26A1RXRA
SCHEMBL6576434 0.77 RARB (0.48) RARBRARGRARACYP26A1RXRA
SCHEMBL6578640 0.76 RARB (0.49) RARBRARGRARACYP26A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937045-B1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
EP-0937045-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY Allergan Sales, Inc. (US) 1999-08-25 EP disclosed
WO-1998019999-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN SALES, INC. (US) 1998-05-14 WO disclosed
US-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 US disclosed