SCHEMBL9264097

SCHEMBL9264097

CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(CC(=O)O)o3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 8/20 0.56
▸ RARB P10826 7/20 0.56
▸ RARG P13631 7/20 0.56
▸ RARA P10276 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CRABP2 P29373 1/20 0.56
▸ CYP26B1 Q9NR63 8/20 0.41
▸ RXRA P19793 4/20 0.39
▸ RXRB P28702 3/20 0.39
▸ RXRG P48443 3/20 0.39
▸ PPARG P37231 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
SCHEMBL9138829 0.85 CYP26A1 (0.48) CYP26A1RARBRARGRARACYP3A4
SCHEMBL6669237 0.85 RARB (0.53) CYP26A1RARBRARGRARACYP3A4
SCHEMBL8875222 0.82 RARA (0.39) CYP26A1RARBRARGRARACYP3A4
SCHEMBL9270488 0.79 RARB (0.46) CYP26A1RARBRARGRARACYP3A4
SCHEMBL9271283 0.77 RARB (0.44) CYP26A1RARBRARGRARACYP3A4
SCHEMBL9266634 0.77 CYP26A1 (0.60) CYP26A1RARBRARGRARACYP3A4
SCHEMBL6669241 0.76 PRSS1 (0.36) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7652311 0.76 RARA (0.41) CYP26A1RARBRARGRARACYP3A4
SCHEMBL9269510 0.76 CYP26A1 (0.56) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7652315 0.76 CYP26A1 (0.37) CYP26A1RARBRARGRARACYP3A4

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 3 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
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 — — US disclosed
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