SCHEMBL20164259

SCHEMBL20164259

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
NLRP3 Q96P20 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR2 O95136 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 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
SCHEMBL18249441 0.88 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249459 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249380 0.83 KMT2A (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164265 0.81 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164279 0.80 MAPT (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164293 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164249 0.78 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249431 0.76 ALDH1A1 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249442 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4822688 0.72 MAPT (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT

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 3 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