SCHEMBL18249459

SCHEMBL18249459

CCOC(=O)Nc1cc(C)cc(C)c1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NLRP3 Q96P20 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.42
RECQL P46063 2/20 0.41
LMNA P02545 2/20 0.41
S1PR2 O95136 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 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
SCHEMBL20164259 0.85 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249442 0.85 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249480 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249431 0.79 ALDH1A1 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249474 0.79 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249473 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL18249409 0.77 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL27474446 0.76 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3
SCHEMBL3156904 0.75 KDM4E (0.52) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL12407193 0.74 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3

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