SCHEMBL9268679

SCHEMBL9268679

CCOC(=O)CCCCc1cnc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.47
▸ RARG P13631 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ RARA P10276 4/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP26A1 O43174 3/20 0.43
▸ CRABP2 P29373 1/20 0.43
▸ RXRA P19793 3/20 0.35
▸ RXRB P28702 3/20 0.35
▸ RXRG P48443 3/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CYP26B1 Q9NR63 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ACACB O00763 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
SCHEMBL9273335 0.93 CYP3A4 (0.49) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9673775 0.88 RARA (0.65) RARBRARGCYP3A4RARAKMT2A
SCHEMBL6684655 0.88 RARA (0.46) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9264954 0.87 RARB (0.51) RARBRARGCYP3A4RARAKMT2A
SCHEMBL8865667 0.86 RARA (0.47) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9262812 0.86 RARB (0.46) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9267388 0.85 CYP3A4 (0.46) RARBRARGCYP3A4RARAKMT2A
SCHEMBL8865755 0.84 CYP3A4 (0.42) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9265639 0.83 RARB (0.44) RARBRARGCYP3A4RARAKMT2A
SCHEMBL9263088 0.82 CYP3A4 (0.54) RARBRARGCYP3A4RARAKMT2A

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
Send feedback