SCHEMBL11900538

SCHEMBL11900538

CCC(=O)Nc1ccc2c(NC(=O)CC)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.54
NR4A1 P22736 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL11876012 0.85 RXFP1 (0.53) POLBGAAMEN1KMT2ACYP2C19
SCHEMBL11900068 0.83 KMT2A (0.54) RAB9APOLBNR4A1GAAMEN1
SCHEMBL30668538 0.82 MAPT (0.68) RAB9APOLBGAAMEN1KMT2A
SCHEMBL1285414 0.82 MAPT (0.68) RAB9APOLBGAAMEN1KMT2A
SCHEMBL18129645 0.81 MTNR1B (0.54) RAB9APOLBNR4A1GAAMEN1
SCHEMBL11900781 0.81 ROCK2 (0.63) RAB9APOLBGAAMEN1KMT2A
SCHEMBL11900180 0.80 CASP6 (0.68) RAB9APOLBGAAMEN1KMT2A
SCHEMBL31152634 0.79 ALDH1A1 (0.73) RAB9APOLBNR4A1GAAMEN1
SCHEMBL1285643 0.79 ALDH1A1 (0.73) RAB9APOLBNR4A1GAAMEN1
SCHEMBL14157781 0.78 CYP3A4 (0.65) RAB9APOLBNR4A1GAAMEN1

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