SCHEMBL20164237

SCHEMBL20164237

CCOC(=O)Nc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ELANE P08246 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20164278 0.88 KMT2A (0.55) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL20164276 0.88 MAPT (0.48) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL20164249 0.85 ALDH1A1 (0.46) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL18249387 0.85 ALDH1A1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20164229 0.81 SMN1; SMN2 (0.43) KMT2ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL20164279 0.80 MAPT (0.49) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20164261 0.79 MAPT (0.48) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20164231 0.78 ELANE (0.41) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL20164289 0.78 ELANE (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL18249488 0.77 ALDH1A1 (0.54) KMT2ACYP1A2CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107580607-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-09-27 CN disclosed
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