SCHEMBL18249487

SCHEMBL18249487

CCCCOC(=O)N(C)CCCC(C)OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
GAA P10253 2/20 0.49
UTS2R Q9UKP6 4/20 0.43
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
ESR1 P03372 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 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
SCHEMBL18249445 0.90 UTS2R (0.47) TSHRGAAUTS2RUSP2ALOX15
SCHEMBL15269465 0.83 TSHR (0.49) TSHRGAAUSP2ALOX15LMNA
SCHEMBL20164283 0.81 TSHR (0.50) TSHRGAAUTS2RUSP2ALOX15
SCHEMBL18249485 0.81 GAA (0.47) TSHRGAAUTS2RLMNACYP1A2
SCHEMBL18249406 0.79 TSHR (0.42) TSHRLMNAALDH1A1CYP3A4DRD3
SCHEMBL18249427 0.77 UTS2R (0.46) TSHRGAAUTS2RUSP2ALOX15
SCHEMBL15233877 0.76 TSHR (0.49) TSHRGAAUSP2ALOX15LMNA
SCHEMBL15269367 0.76 USP2 (0.46) TSHRGAAUTS2RUSP2ALOX15
SCHEMBL15269591 0.76 USP2 (0.48) TSHRGAAUTS2RUSP2ALOX15
SCHEMBL20164210 0.76 GAA (0.70) TSHRGAALMNACYP1A2CYP2C19

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