SCHEMBL28876649

SCHEMBL28876649

CCOC(=O)Nc1c(C)cc(C)cc1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 8/20 0.46
MEN1 O00255 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
TP53 P04637 1/20 0.41
AHR P35869 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 4/20 0.41

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
SCHEMBL18249474 0.81 SMN1; SMN2 (0.52) NLRP3SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL18249405 0.77 KMT2A (0.67) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL26588963 0.76 NLRP3 (0.78) NLRP3SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL20164233 0.75 KMT2A (0.49) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL20164278 0.74 KMT2A (0.55) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL18249416 0.72 ALDH1A1 (0.56) NLRP3SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL20164252 0.72 KMT2A (0.51) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL31321668 0.72 HSD11B1 (0.62) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL20164265 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL28190995 0.71 NLRP3 (0.48) NLRP3SMN1; SMN2KMT2AMEN1RAB9A

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-107580607-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-09-27 CN disclosed