SCHEMBL9265142

SCHEMBL9265142

CCOC(=O)c1ccc(C#Cc2cc3c(cc2CC)C(C)(C)CCC3(C)C)nc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.61
RARB P10826 7/20 0.61
RARG P13631 4/20 0.61
CYP3A4 P08684 2/20 0.61
KMT2A Q03164 1/20 0.61
CYP26A1 O43174 1/20 0.44
RXRA P19793 11/20 0.41
RXRB P28702 5/20 0.39
RXRG P48443 5/20 0.39
HNF4A P41235 2/20 0.39
PPARG P37231 1/20 0.38
PDE4B Q07343 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
SCHEMBL9268128 0.91 RARA (0.62) RARARARBRARGCYP3A4KMT2A
SCHEMBL9264867 0.90 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL6689597 0.89 RARA (0.75) RARARARBRARGCYP3A4KMT2A
SCHEMBL6668831 0.88 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865958 0.84 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865484 0.84 RARA (0.58) RARARARBRARGCYP3A4KMT2A
SCHEMBL9270697 0.84 CYP3A4 (0.77) RARARARBRARGCYP3A4KMT2A
SCHEMBL6667758 0.83 RARA (0.71) RARARARBRARGCYP3A4KMT2A
SCHEMBL6666777 0.82 RARA (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL7658350 0.82 RARA (0.62) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed