SCHEMBL9695091

SCHEMBL9695091

COc1cc(-c2ccc(C#N)cc2)cc2oc(=O)c(C)c(C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ PGR P06401 1/20 0.41
▸ ABCC1 P33527 1/20 0.40

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
SCHEMBL5618611 0.86 ALDH1A1 (0.50) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL9695915 0.86 ALDH1A1 (0.49) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL5617520 0.85 MAPT (0.55) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL9695076 0.84 BRD4 (0.53) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL9695046 0.84 MAPT (0.53) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL9695117 0.84 ALDH1A1 (0.47) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL5618038 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL5618509 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL9589008 0.81 CYP1A2 (0.47) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL5617678 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1LMNAHPGD

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-5100914-A Monoamine Oxidase Inhibitors, Central Nervous System Disorders BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 — — US disclosed
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