SCHEMBL23169728

SCHEMBL23169728

CCNC1=C(CC)C(=O)N(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.31
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL11960695 0.77 MEN1 (0.33) USP2CASP1CASP7MEN1BRCA1
SCHEMBL10119694 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20161610 0.66 MEN1 (0.32) USP2CASP1CASP7MEN1BRCA1
SCHEMBL27960232 0.64 PRMT1 (0.33) ALDH1A1MAPTTDP1
SCHEMBL22246110 0.64 — —
SCHEMBL23643488 0.61 NR1H2 (0.38) USP2MEN1KMT2ANR1H2NR1H3
SCHEMBL30139973 0.60 MEN1 (0.30) USP2CASP1CASP7MEN1BRCA1
SCHEMBL18011850 0.58 ALDH1A1 (0.45) USP2CASP1CASP7MEN1BRCA1
SCHEMBL18646469 0.58 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL6342924 0.58 ALDH1A1 (0.62) USP2CASP1CASP7MEN1BRCA1

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
EP-3390571-B1 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-31 — — EP disclosed
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