SCHEMBL11067487

SCHEMBL11067487

C=CCNc1cccc(C(=O)C(C(C)=O)C(=O)OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 6/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11301916 0.85 AURKA (0.40) SMN1; SMN2ALDH1A1RAB9AKMT2ANPC1
SCHEMBL11155678 0.81 KMT2A (0.56) SMN1; SMN2LMNANPSR1HPGDKDM4E
SCHEMBL11166563 0.77 KDM4E (0.51) HPGDKDM4EALDH1A1KMT2ANPC1
SCHEMBL1436172 0.76 SLC7A5 (0.49) SMN1; SMN2NPSR1KDM4EALDH1A1RAB9A
SCHEMBL11071275 0.76 ALDH1A1 (0.43) LMNANPSR1HPGDKDM4EALDH1A1
SCHEMBL11071458 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1HPGDKDM4E
SCHEMBL11071456 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1HPGDKDM4E
SCHEMBL31439643 0.75 SLC7A5 (0.48) SMN1; SMN2NPSR1KDM4EALDH1A1RAB9A
SCHEMBL11073671 0.74 EGFR (0.54) SMN1; SMN2HPGDALDH1A1RAB9AKMT2A
SCHEMBL2036336 0.74 NPC1 (0.54) SMN1; SMN2LMNAALDH1A1RAB9AKMT2A

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
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed