SCHEMBL18249404

SCHEMBL18249404

CCCc1ccc(C(=O)OC(CCC)CN(C)C(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
PLK1 P53350 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
THRB P10828 2/20 0.36
ESR1 P03372 2/20 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
SCHEMBL18249432 0.87 CYP4A11 (0.42) CYP4F2CYP4A11PRKCAPRKCDMAPT
SCHEMBL18249444 0.87 UTS2R (0.46) PRKCAPRKCDALDH1A1KMT2ATSHR
SCHEMBL18249453 0.82 POLB (0.43) PRKCAPRKCDALDH1A1KMT2APOLB
SCHEMBL18249448 0.81 CYP4F2 (0.41) CYP4F2CYP4A11MAPTNPC1RAB9A
SCHEMBL17699419 0.79 CYP4A11 (0.50) CYP4F2CYP4A11PRKCAPRKCDMAPT
SCHEMBL18249406 0.79 TSHR (0.42) CYP4F2CYP4A11MAPTNPC1RAB9A
SCHEMBL15270059 0.79 CYP4F2 (0.43) CYP4F2CYP4A11PRKCAPRKCDMAPT
SCHEMBL18249485 0.77 GAA (0.47) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL18249399 0.77 MAPT (0.38) CYP4F2CYP4A11MAPTNPC1RAB9A
SCHEMBL20164227 0.76 ALDH1A1 (0.49) MAPTNPC1RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298048-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-03-28 EP disclosed
WO-2016184884-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-11-24 WO disclosed