SCHEMBL31319784

SCHEMBL31319784

CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)C[C@H]1OCCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP12 P39900 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL17640848 0.97 LMNA (0.36) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL18461300 0.97 LMNA (0.36) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL21415409 0.83 POLB (0.39) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL25487999 0.83 CA1 (0.41) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL25481224 0.82 CYP3A4 (0.36) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL19695709 0.82 BDNF (0.38) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL23812505 0.81 CYP3A4 (0.36) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL14031822 0.81 CYP3A4 (0.36) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL20329185 0.81 LMNA (0.34) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL21702711 0.81 LMNA (0.39) LMNAKMT2ACYP3A4MAPTCYP2C9

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-119219561-A Naphthamide 1H-indazole derivative and preparation and application thereof 上海润石医药科技有限公司 2024-12-31 CN disclosed