SCHEMBL11636742

SCHEMBL11636742

CCCNC1=NC(=O)C(C23CC4CC(CC(C4)C2)C3)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11636893 0.77 MAPT (0.33) MAPT
SCHEMBL11633600 0.71 MEN1 (0.31) MEN1KMT2AL3MBTL1
SCHEMBL11634708 0.69 RAB9A (0.35)
SCHEMBL11633748 0.65 HSD11B1 (0.34)
SCHEMBL11637973 0.65 THRB (0.35) L3MBTL1ALDH1A1
SCHEMBL1605745 0.57 ALDH1A1 (0.33) KMT2AL3MBTL1ALDH1A1
SCHEMBL1605818 0.57 LMNA (0.35) L3MBTL1ALDH1A1
SCHEMBL60897 0.55 GRIN2D (0.48) MEN1KMT2AL3MBTL1
SCHEMBL14503283 0.53 EPHX2 (0.80) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11635870 0.53 GRIN2D (0.32) ALDH1A1

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-4100170-A ANTIHYPERTENSIVE AGENTS, MONOAMINE OXIDASE INHIBITORS PENNWALT CORPORATION (US) 1978-07-11 US disclosed