SCHEMBL9257896

SCHEMBL9257896

CCOC(=O)CCc1cnc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 6/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ RARB P10826 4/20 0.46
▸ RARG P13631 4/20 0.46
▸ RARA P10276 3/20 0.46
▸ CRABP2 P29373 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ CYP26B1 Q9NR63 5/20 0.40
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ PPARG P37231 4/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36

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
SCHEMBL9265639 0.93 RARB (0.44) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9263088 0.88 CYP3A4 (0.54) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9271965 0.86 CYP3A4 (0.49) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL19342983 0.83 CYP3A4 (0.59) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9273335 0.82 CYP3A4 (0.49) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9264954 0.82 RARB (0.51) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9267388 0.82 CYP3A4 (0.46) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9268167 0.80 CYP26A1 (0.57) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9271587 0.79 RARB (0.48) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL9268679 0.78 RARB (0.47) CYP26A1CYP3A4RARBRARGRARA

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
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