SCHEMBL11901010

SCHEMBL11901010

CCCCCC(=O)Nc1cccc(NC(=O)CCCCC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64
HDAC3 O15379 3/20 0.63
HDAC1 Q13547 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC4 P56524 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63

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
SCHEMBL10969527 0.95 KDM4E (0.72) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9704955 0.91 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14483841 0.90 HDAC3 (0.78) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31091436 0.90 HDAC3 (0.78) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11132798 0.90 HDAC4 (0.63) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11864941 0.90 LMNA (0.62) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11627440 0.89 LMNA (0.58) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19501814 0.89 SOAT2 (0.68) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8388528 0.89 HDAC4 (0.65) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11638630 0.89 LMNA (0.61) LMNANPC1RAB9ASMN1; SMN2KDM4E

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
US-8377530-B2 Polyesters with low molecular weight additives for improved gas barrier properties EASTMAN CHEMICAL COMPANY (US) 2013-02-19 US disclosed
US-20120199515-A1 POLYESTERS WITH LOW MOLECULAR WEIGHT ADDITIVES FOR IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2012-08-09 US disclosed