Sugi Predict

Sugi Predict / Compounds / SCHEMBL8772660

SCHEMBL8772660

SCHEMBL8772660

CC1(C)CC=C(C#N)c2cc(C#Cc3ccccc3C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 18/20 0.53
▸ RARB P10826 17/20 0.53
▸ RARG P13631 17/20 0.53
▸ CYP26A1 O43174 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CRABP2 P29373 1/20 0.38

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
SCHEMBL7157957 0.83 RARB (0.72) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8772741 0.82 RARA (0.53) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8508583 0.81 RARA (0.58) RARARARBRARG
SCHEMBL8772769 0.81 RARA (0.45) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8772731 0.81 RARA (0.50) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8772821 0.81 RARA (0.50) RARARARBRARGCYP26A1CYP3A4
SCHEMBL5480486 0.81 RARB (0.73) RARARARBRARG
SCHEMBL8772747 0.81 RARA (0.50) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8772626 0.77 RARA (0.62) RARARARBRARG
SCHEMBL8772690 0.77 RARB (0.45) RARARARBRARGCYP26A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 — — EP disclosed