SCHEMBL20164293

SCHEMBL20164293

CCCc1ccc(C(=O)Oc2c(C)cc(C(C)(C)C)cc2NC(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ESRRG P62508 1/20 0.36
ABCB1 P08183 1/20 0.36
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18249473 0.88 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164265 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249380 0.87 KMT2A (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164229 0.86 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249407 0.82 NLRP3 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL15233920 0.81 NPSR1 (0.38) SMN1; SMN2MAPTLMNAESRRGABCB1
SCHEMBL20164249 0.80 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL15233926 0.79 NPSR1 (0.39) SMN1; SMN2MAPTLMNAESRRGABCB1
SCHEMBL20164259 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18249441 0.78 SMN1; SMN2 (0.47) 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