SCHEMBL7786704

SCHEMBL7786704

C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OCCO.C=C(CC=Cc1ccccc1)C(=O)OCC(C)C.C=CC(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ELANE P08246 2/20 0.32
LMNA P02545 2/20 0.32
CYP19A1 P11511 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
Styrene SCHEMBL5471887 0.84 CYP2C19 (0.40) CYP2C19NPSR1HTTMEN1KMT2A
Styrene SCHEMBL1762174 0.83 CYP2C19 (0.42) CYP2C19NPSR1HTTMEN1KMT2A
Styrene SCHEMBL892493 0.82 CYP2C19 (0.41) CYP2C19NPSR1HTTMEN1KMT2A
SCHEMBL18978908 0.82 TDP1 (0.40) CYP2C19HTTMEN1KMT2AKDM4E
SCHEMBL8144058 0.81 TDP1 (0.41) CYP2C19HTTMEN1KMT2AKDM4E
SCHEMBL10906591 0.79 TSHR (0.43) HTTKDM4ETDP1
SCHEMBL5420419 0.78 HTT (0.42) CYP2C19NPSR1HTTMEN1KMT2A
SCHEMBL19064565 0.78 ALDH1A1 (0.38) MEN1KMT2AKDM4ETDP1
SCHEMBL10905439 0.77 TSHR (0.41) HTTKDM4ETDP1
SCHEMBL5174696 0.77 TSHR (0.41) HTTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868460-B1 COATING CONTAINING ACRYLOSILANE POLYMER TO IMPROVE MAR AND ACID ETCH RESISTANCE DU PONT (US) 2001-11-07 EP disclosed
EP-0868460-A1 COATING CONTAINING ACRYLOSILANE POLYMER TO IMPROVE MAR AND ACID ETCH RESISTANCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-10-07 EP disclosed
US-5684084-A AUTOMOBILE FINISHES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-04 US disclosed
WO-1997022647-A1 COATING CONTAINING ACRYLOSILANE POLYMER TO IMPROVE MAR AND ACID ETCH RESISTANCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-06-26 WO disclosed