SCHEMBL6578039

SCHEMBL6578039

Cc1ccc(N2CCC(C)(C)c3ccc(C(=O)c4cc(C(=O)O)ccc4N)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.43
RARB P10826 6/20 0.43
RARG P13631 5/20 0.43
RARA P10276 4/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
MAPT P10636 3/20 0.42
HNF4A P41235 2/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6575696 0.90 RARB (0.46) RXRARARBRARGRARARXRB
SCHEMBL6577986 0.80 RARB (0.59) RXRARARBRARGRARARXRB
SCHEMBL6575669 0.80 RARB (0.59) RXRARARBRARGRARARXRB
SCHEMBL6578025 0.79 RARB (0.65) RXRARARBRARGRARARXRB
SCHEMBL6574370 0.72 RARB (0.67) RXRARARBRARGRARACYP26A1
SCHEMBL6576434 0.71 RARB (0.48) RXRARARBRARGRARARXRB
SCHEMBL6578064 0.71 HTR2B (0.34) MAPT
SCHEMBL3341864 0.70 RARB (0.52) RXRARARBRARGRARARXRB
SCHEMBL9057636 0.70 RARB (0.43) RXRARARBRARGRARARXRB
SCHEMBL6578640 0.69 RARB (0.49) RARBRARGRARACYP26A1MAPK1

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-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
US-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 US disclosed