SCHEMBL20164253

SCHEMBL20164253

CCOC(=O)N(CC)c1cc(C(C)(C)C)ccc1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
CYP2C19 P33261 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
TP53 P04637 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL20164275 0.89 ABCB1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2RXRA
SCHEMBL20164215 0.89 MAPT (0.46) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20164289 0.89 ELANE (0.41) KMT2ASMN1; SMN2MEN1RXRARXRB
SCHEMBL20164213 0.88 KMT2A (0.41) KMT2ACYP2C19NPC1RAB9ACYP1A2
SCHEMBL18249379 0.85 KMT2A (0.39) KMT2ACYP2C19NPC1RAB9ACYP1A2
SCHEMBL20164226 0.83 TSHR (0.42) KMT2ACYP2C19MEN1MAPTTSHR
SCHEMBL20164269 0.82 TSHR (0.44) CYP2C19MAPTTSHRALDH1A1CYP3A4
SCHEMBL20164247 0.82 KMT2A (0.45) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20164204 0.79 NPSR1 (0.39) KMT2ANPC1RAB9ASMN1; SMN2RXRA
SCHEMBL16555608 0.78 KMT2A (0.44) KMT2ACYP2C19NPC1RAB9ACYP1A2

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