SCHEMBL31411563

SCHEMBL31411563

CC1(C)C(=O)N(CCc2ccccc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 2/20 0.54
TP53 P04637 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 5/20 0.46
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ELANE P08246 1/20 0.42
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL31411806 0.87 ELANE (0.55) TP53SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL31411522 0.82 TP53 (0.53) PARK7TP53MAPTALDH1A1USP2
SCHEMBL4781663 0.81 POLB (0.50) TP53CPT2CPT1ACPT1BALDH1A1
SCHEMBL7376832 0.81 PARK7 (0.52) PARK7TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL2243595 0.81 KAT2B (0.46) TP53SMN1; SMN2MAPTCPT2CPT1A
SCHEMBL21990184 0.80 TP53 (0.51) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL2242021 0.79 CPT1A (0.48) SMN1; SMN2CPT2CPT1ACPT1BALDH1A1
SCHEMBL31411889 0.79 PGR (0.50) PARK7TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL29825404 0.79 STING1 (0.50) TP53MAPTCPT2CPT1ACPT1B
SCHEMBL31411552 0.78 CA12 (0.42) TP53SMN1; SMN2MAPTCPT2CPT1A

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