SCHEMBL6576642

SCHEMBL6576642

C#Cc1ccc2c(c1)N(c1ccc(C)cc1)C(=O)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
AR P10275 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8616526 0.83 RARB (0.42) POLBRARARARBRARGMAPT
SCHEMBL8613287 0.81 MAPT (0.39) MAPTLMNAF2ELANECTSG
SCHEMBL6575692 0.77 MAPK1 (0.53) POLBRARARARBRARGMAPK1
SCHEMBL8603410 0.75 RARB (0.65) RARARARBRARG
SCHEMBL6574397 0.74 RARA (0.37) RARARARBRARG
SCHEMBL6578602 0.72 AR (0.37) MAPTLMNAARALDH1A1TSHR
SCHEMBL13444931 0.68 ALDH1A1 (0.59) POLBF2ELANECTSGCMA1
SCHEMBL22566817 0.66 CA9 (0.41) POLBMAPK1PGRNPC1ALDH1A1
SCHEMBL22566816 0.66 CA9 (0.41) POLBMAPK1PGRNPC1ALDH1A1
SCHEMBL16395894 0.66 POLB (0.64) POLBMAPTLMNAF2ELANE

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