SCHEMBL18249474

SCHEMBL18249474

CCOC(=O)Nc1cc(C)cc(C)c1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.46
NLRP3 Q96P20 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL18249480 0.88 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20164265 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249409 0.87 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249473 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249416 0.84 ALDH1A1 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28876649 0.81 NLRP3 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249459 0.79 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249405 0.77 KMT2A (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28876723 0.76 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL18249442 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298048-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-07-03 EP disclosed
US-10221256-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-03-05 US disclosed
US-20180142044-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 US disclosed
EP-3298048-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-03-28 EP disclosed
WO-2016184884-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-11-24 WO disclosed