SCHEMBL9268167

SCHEMBL9268167

CC1(C)CCC(C)(C)c2cc(C#Cc3ncc(CC(=O)O)cn3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 10/20 0.57
▸ RARB P10826 4/20 0.57
▸ RARG P13631 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ RARA P10276 2/20 0.57
▸ CRABP2 P29373 1/20 0.57
▸ CYP26B1 Q9NR63 8/20 0.47
▸ RXRA P19793 4/20 0.45
▸ RXRB P28702 4/20 0.45
▸ RXRG P48443 4/20 0.45
▸ PPARG P37231 1/20 0.43

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
SCHEMBL9264079 0.87 CYP26A1 (0.54) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL24410699 0.85 RARB (0.71) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL9266634 0.85 CYP26A1 (0.60) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL9257896 0.80 CYP26A1 (0.46) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL9267411 0.80 CYP26A1 (0.54) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL19342945 0.80 RARG (0.56) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL19342983 0.79 CYP3A4 (0.59) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL9265639 0.78 RARB (0.44) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL9257747 0.76 CYP26A1 (0.55) CYP26A1RARBRARGCYP3A4RARA
SCHEMBL31756569 0.76 RARG (0.65) CYP26A1RARBRARGCYP3A4RARA

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