SCHEMBL18249448

SCHEMBL18249448

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
PLK1 P53350 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 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
SCHEMBL18249404 0.81 CYP4F2 (0.40) CYP4F2CYP4A11TSHRTAS1R3TAS1R1
SCHEMBL18249399 0.80 MAPT (0.38) CYP4F2CYP4A11TAS1R3TAS1R1MAPT
SCHEMBL18249406 0.77 TSHR (0.42) CYP4F2CYP4A11TSHRTAS1R3TAS1R1
SCHEMBL20164242 0.76 CYP4F2 (0.42) CYP4F2CYP4A11TSHRTAS1R3TAS1R1
SCHEMBL15233928 0.75 CYP4F2 (0.46) CYP4F2CYP4A11TAS1R3TAS1R1MAPT
SCHEMBL2713192 0.75 CYP4A11 (0.54) CYP4F2CYP4A11TAS1R3TAS1R1MAPT
SCHEMBL18249381 0.74 CYP4F2 (0.43) CYP4F2CYP4A11TSHRTAS1R3TAS1R1
SCHEMBL18249393 0.74 CYP4F2 (0.43) CYP4F2CYP4A11TSHRTAS1R3TAS1R1
SCHEMBL20164227 0.74 ALDH1A1 (0.49) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL18249384 0.74 CYP4F2 (0.45) CYP4F2CYP4A11TAS1R3TAS1R1MAPT

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