SCHEMBL29609692

SCHEMBL29609692

CC(=O)N[C@H](C)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
SSTR4 P31391 1/20 0.58
EPHX2 P34913 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC3 O15379 1/20 0.54
CYP2C9 P11712 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PDE2A O00408 1/20 0.53
LTC4S Q16873 1/20 0.52

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
SCHEMBL9817975 1.00 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL6514206 1.00 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL6529748 1.00 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL24575927 0.88 EPHX2 (0.64) LMNAGAASSTR4EPHX2MEN1
SCHEMBL2934798 0.86 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL1567110 0.86 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL8518963 0.86 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL7263715 0.86 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL5520593 0.85 ALDH1A1 (0.63) LMNAGAASSTR4EPHX2MEN1
SCHEMBL7868509 0.85 LMNA (0.59) LMNAGAASSTR4EPHX2

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
CN-114524745-A Preparation method of (R) -N-acetyl-alpha-arylethylamine derivative 浙江工业大学 2022-05-24 CN disclosed