Sugi Predict

Sugi Predict / Compounds / SCHEMBL8865237

SCHEMBL8865237

SCHEMBL8865237

CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)S3)nn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.49
▸ RARB P10826 4/20 0.49
▸ RARG P13631 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP26A1 O43174 2/20 0.40
▸ HSPA9 P38646 1/20 0.32
▸ CRABP2 P29373 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8865744 0.89 RARA (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL8876089 0.88 CYP3A4 (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865424 0.86 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864842 0.86 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865354 0.86 RARA (0.51) RARARARBRARGCYP3A4KMT2A
SCHEMBL9182226 0.83 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864910 0.82 RARA (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865454 0.81 CYP3A4 (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865026 0.81 RARA (0.34) RARARARBRARGCYP3A4KMT2A
SCHEMBL8662240 0.80 CYP3A4 (0.54) RARARARBRARGCYP3A4KMT2A

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
US-5677323-A SKIN DISORDERS, PSORIASIS ALLERGAN (US) 1997-10-14 — — US disclosed