SCHEMBL9626599

SCHEMBL9626599

CC(CCCc1ccccc1O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ MPO P05164 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9626593 0.81 KDM4E (0.43) AAK1SLC6A4
SCHEMBL7651312 0.75 HTR1A (0.47) HTR1ASLC6A4TAAR1AKR1B1TYR
SCHEMBL28100539 0.74 CTSK (0.42) —
SCHEMBL12734615 0.74 CTSK (0.42) —
SCHEMBL6514198 0.74 TDP1 (0.38) MMP13AAK1CHRNB2CHRNB4CHRNA3
SCHEMBL86328 0.74 TDP1 (0.38) MMP13AAK1CHRNB2CHRNB4CHRNA3
SCHEMBL12734604 0.74 CTSK (0.42) —
SCHEMBL20170916 0.74 MMP13 (0.34) MMP13AAK1MPOSLC6A4
SCHEMBL1845414 0.73 AKR1B1 (0.43) HTR1AAKR1B1L3MBTL1
SCHEMBL12050814 0.72 BCHE (0.53) SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 — — EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 — — WO disclosed
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