SCHEMBL9854497

SCHEMBL9854497

CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCCC)cc3C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.57
RARA P10276 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MTOR P42345 1/20 0.57
MGLL Q99685 1/20 0.48
RARG P13631 1/20 0.47
THRA P10827 4/20 0.47
THRB P10828 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7941999 0.85 RARB (0.57) RARBRARAMAPTMEN1KMT2A
SCHEMBL9477837 0.85 RARB (0.57) RARBRARAMAPTMEN1KMT2A
SCHEMBL11562805 0.83 MAPT (0.47) RARBMAPTKMT2AMGLLTHRA
SCHEMBL11546135 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11551030 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11547490 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11547828 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11551848 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11548632 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A
SCHEMBL11551935 0.83 RARB (0.64) RARBRARAMAPTMEN1KMT2A

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-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed