SCHEMBL9626593

SCHEMBL9626593

CC(CCCc1ccc(O)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ CALM1 P0DP23 1/20 0.38
▸ ESRRG P62508 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ TACR2 P21452 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HSPD1 P10809 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HSPE1 P61604 1/20 0.36

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
SCHEMBL9626599 0.81 MGLL (0.36) AAK1SLC6A4
SCHEMBL9628202 0.79 MAOB (0.54) —
SCHEMBL11235133 0.77 HSD17B10 (0.43) SLC6A3ALDH1A1LMNAHIF1AHSD17B10
SCHEMBL7603010 0.76 MAPT (0.42) SLC6A3HSD17B10ACHE
SCHEMBL8476620 0.76 MAPT (0.42) SLC6A3HSD17B10ACHE
SCHEMBL86328 0.75 TDP1 (0.38) AAK1CTSK
SCHEMBL12734604 0.75 CTSK (0.42) CTSSCTSK
SCHEMBL28100539 0.75 CTSK (0.42) CTSSCTSK
SCHEMBL12734615 0.75 CTSK (0.42) CTSSCTSK
SCHEMBL6514198 0.75 TDP1 (0.38) AAK1CTSK

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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