SCHEMBL20164265

SCHEMBL20164265

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL18249380 0.89 KMT2A (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28876723 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL20164249 0.88 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL18249474 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL20164293 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL20164278 0.84 KMT2A (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL18249416 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL20164259 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL18249441 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL15233901 0.80 POLB (0.38) SMN1; SMN2CYP1A2CYP2C19CYP2C9MEN1

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