SCHEMBL31411646

SCHEMBL31411646

COC(=O)c1ccc2c(c1)N(Cc1cccc3ccoc13)C(=O)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.43
CPT1B Q92523 5/20 0.43
CPT2 P23786 3/20 0.43
STING1 Q86WV6 1/20 0.41
NQO2 P16083 1/20 0.41
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.36
GSK3B P49841 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL31411629 0.89 CPT1A (0.45) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411676 0.80 CPT1A (0.48) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL21990137 0.80 LMNA (0.58) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411712 0.80 CPT1A (0.40) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411827 0.80 CPT1A (0.40) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411538 0.79 CPT1A (0.40) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411820 0.77 STING1 (0.41) CPT1ACPT1BCPT2STING1TP53
SCHEMBL29825029 0.75 STING1 (0.50) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411529 0.74 CPT1A (0.46) CPT1ACPT1BCPT2STING1LMNA
SCHEMBL31411739 0.74 CPT1A (0.50) CPT1ACPT1BCPT2STING1LMNA

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed