SCHEMBL8634937

SCHEMBL8634937

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)N(C(C)C)C(=O)CC3(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.74
RARA P10276 9/20 0.74
RARG P13631 7/20 0.74
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 1/20 0.44
RXRA P19793 7/20 0.43
MAPK1 P28482 1/20 0.43
ACACB O00763 1/20 0.39
CYP26A1 O43174 1/20 0.38
CRABP2 P29373 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL8634168 0.92 RARB (0.74) RARBRARARARGCYP3A4KMT2A
SCHEMBL8605778 0.89 RARB (0.61) RARBRARARARGCYP3A4KMT2A
SCHEMBL6575692 0.82 MAPK1 (0.53) RARBRARARARGCYP3A4KMT2A
SCHEMBL8633422 0.81 RARB (0.61) RARBRARARARGCYP3A4KMT2A
SCHEMBL8631951 0.79 RARB (0.49) RARBRARARARGCYP3A4KMT2A
SCHEMBL7710045 0.78 RARA (0.52) RARBRARARARGKMT2ARXRA
SCHEMBL7703983 0.77 RARA (0.51) RARBRARARARGRXRAMAPK1
SCHEMBL7710137 0.77 RARA (0.50) RARBRARARARGRXRAMAPK1
SCHEMBL8866305 0.76 RARB (0.71) RARBRARARARGCYP3A4KMT2A
SCHEMBL8632000 0.75 RARB (0.67) RARBRARARARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825986-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1998-03-04 EP claimed
WO-1996036609-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-11-21 WO claimed
EP-0825986-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1998-03-04 EP disclosed
US-5616712-A SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; ALLERGAN (US) 1997-04-01 US disclosed
WO-1996036609-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-11-21 WO disclosed