SCHEMBL4315477

SCHEMBL4315477

CCCCCCC(=O)Nc1cc(NC(=O)CCCCCC)cc(C(=O)OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
CNR1 P21554 1/20 0.51
LMNA P02545 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ENPP2 Q13822 1/20 0.48

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
SCHEMBL21998679 0.97 KDM4E (0.55) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL21998921 0.97 KDM4E (0.55) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL21998903 0.97 KDM4E (0.55) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL4315463 0.92 HDAC3 (0.55) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL4310606 0.92 HDAC3 (0.55) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL4309070 0.89 CNR1 (0.45) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL4305918 0.89 CNR1 (0.45) KDM4ECNR1LMNANPC1RAB9A
SCHEMBL10602139 0.89 CNR1 (0.64) KDM4ECNR1ALDH1A1CYP1A2CYP3A4
SCHEMBL16118213 0.87 LMNA (0.61) CNR1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL21998663 0.86 ALDH1A1 (0.67) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed