SCHEMBL8614817

SCHEMBL8614817

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)N(c2ccccc2)CCC3(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.52
RARA P10276 12/20 0.52
RARG P13631 11/20 0.52
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 1/20 0.45
CYP26A1 O43174 1/20 0.45
CRABP2 P29373 1/20 0.45
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
PRMT1 Q99873 1/20 0.39
GRM5 P41594 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL6578640 0.92 RARB (0.49) RARBRARARARGCYP3A4KMT2A
SCHEMBL6574370 0.87 RARB (0.67) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6578008 0.83 RARB (0.51) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6578025 0.81 RARB (0.65) RARBRARARARGCYP3A4CYP26A1
SCHEMBL6578028 0.80 RARB (0.41) RARBRARARARGCYP3A4KMT2A
SCHEMBL9484975 0.79 RARB (0.67) RARBRARARARGCYP3A4KMT2A
SCHEMBL5737868 0.75 RARB (0.52) RARBRARARARGCYP3A4KMT2A
SCHEMBL7636118 0.75 RARB (0.49) RARBRARARARGCYP3A4KMT2A
SCHEMBL8616759 0.74 RARB (0.42) RARBRARARARGCYP3A4KMT2A
SCHEMBL9007003 0.74 RARB (0.66) RARBRARARARGCYP3A4KMT2A

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-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 US disclosed