SCHEMBL6668066

SCHEMBL6668066

CCOC(=O)c1ccc(C#Cc2cc3c(cc2C)OCCC3(C)C)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.57
RARB P10826 9/20 0.57
RARG P13631 6/20 0.57
CYP3A4 P08684 2/20 0.57
KMT2A Q03164 2/20 0.57
RXRA P19793 3/20 0.46
HNF4A P41235 1/20 0.46
CYP26A1 O43174 2/20 0.41
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP26B1 Q9NR63 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL6668831 0.92 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL6689600 0.89 RARA (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL6666777 0.89 RARA (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL9268128 0.88 RARA (0.62) RARARARBRARGCYP3A4KMT2A
SCHEMBL6667763 0.87 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL10571276 0.86 RARA (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL6666785 0.86 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL1485972 0.86 RARA (0.70) RARARARBRARGCYP3A4KMT2A
SCHEMBL8461072 0.85 RARA (0.50) RARARARBRARGCYP3A4KMT2A
SCHEMBL8560124 0.85 RARA (0.52) RARARARBRARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785782-B1 USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY ALLERGAN INC (US) 2004-09-08 EP disclosed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
EP-0785782-A1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1997-07-30 EP disclosed
US-5602130-A ORNITHINE DECARBOXYLASE ENZYME INHIBITOR TREATING SKIN DISORDER, INHIBITING CELL HYPERPROLIFERATION ALLERGAN 1997-02-11 US disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
WO-1996011686-A1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-04-25 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
US-5380877-A Psoriasis treatment; retinoic acid-like activity ALLERGAN, INC. (US) 1995-01-10 US disclosed
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
EP-0284288-B1 DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1992-05-27 EP disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0284288-A1 Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed