SCHEMBL30688482

SCHEMBL30688482

CN(C)C(=O)C(C#N)=Cc1cccc(CCCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
EGFR P00533 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 3/20 0.43
ALOX12 P18054 3/20 0.43
RECQL P46063 3/20 0.43
BLM P54132 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 3/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL22436411 1.00 KDM4E (0.43) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28433225 0.91 JAK3 (0.41) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29130407 0.83 EGFR (0.38) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30688440 0.83 EGFR (0.38) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29130409 0.83 EGFR (0.38) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22436381 0.83 KDM4E (0.46) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22436382 0.83 KDM4E (0.46) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL26447147 0.82 MAPK1 (0.47) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22436438 0.81 PSMB5 (0.43) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL26096253 0.81 PSMB5 (0.43) KDM4EMAPK1ALDH1A1HPGDSMN1; SMN2

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-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed