SCHEMBL20164216

SCHEMBL20164216

CCCc1ccc(C(=O)OCCCN(C)C(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 6/20 0.49
CYP1A2 P05177 4/20 0.49
SCN1A P35498 3/20 0.49
SCN2A Q99250 3/20 0.49
SCN3A Q9NY46 3/20 0.49
GAA P10253 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 2/20 0.49
DRD3 P35462 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
TSHR P16473 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 2/20 0.47
ESR1 P03372 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL20164227 0.92 ALDH1A1 (0.49) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL20164210 0.84 GAA (0.70) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL20164205 0.84 TDP1 (0.58) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL18249406 0.82 TSHR (0.42) ALDH1A1LMNACYP3A4DRD3TSHR
SCHEMBL10950553 0.80 ESR1 (0.70) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL571227 0.79 CA1 (0.63) ALDH1A1LMNACYP1A2CYP3A4KCNH2
SCHEMBL20164298 0.78 LMNA (0.41) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL16556222 0.77 LMNA (0.50) ALDH1A1LMNACYP1A2SCN1ASCN2A
SCHEMBL10949603 0.77 ALDH1A1 (0.68) ALDH1A1LMNACYP1A2CYP2D6CYP3A4
SCHEMBL20164272 0.76 MAPT (0.38) ALDH1A1LMNACYP1A2GAACYP3A4

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