SCHEMBL6576434

SCHEMBL6576434

Cc1ccc(N2CCC(C)(C)c3ccc(C#Cc4ccc(C(=O)O)c(F)c4)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.48
RARG P13631 12/20 0.48
RARA P10276 10/20 0.48
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
CRABP2 P29373 1/20 0.41
RXRA P19793 9/20 0.41
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40

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
SCHEMBL6578028 0.89 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6578025 0.85 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6578640 0.77 RARB (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6575696 0.77 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6574370 0.77 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL22426598 0.77 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6575676 0.76 RARB (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6574397 0.76 RARA (0.37) RARBRARGRARA
SCHEMBL6578008 0.74 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL24410708 0.72 RXRA (0.58) RARBRARGRARACYP26A1CYP3A4

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