SCHEMBL7120004

SCHEMBL7120004

C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.47
CYP19A1 P11511 2/20 0.47
ELANE P08246 3/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL28099765 1.00 CYP2C19 (0.55) CYP2C19MAPTMAPK1KMT2AMEN1
SCHEMBL9155348 1.00 CYP2C19 (0.55) CYP2C19MAPTMAPK1KMT2AMEN1
SCHEMBL28075921 0.91 CYP2C19 (0.58) CYP2C19MAPTMAPK1KMT2AMEN1
Phenol SCHEMBL8023921 0.88 MAPT (0.61) CYP2C19MAPTMAPK1KMT2AMEN1
Styrene SCHEMBL5394275 0.85 CYP2C19 (0.62) CYP2C19MAPTMAPK1KMT2AMEN1
Styrene SCHEMBL5394272 0.85 CYP2C19 (0.62) CYP2C19MAPTMAPK1KMT2AMEN1
Acetic Acid SCHEMBL27635724 0.85 MAPT (0.51) CYP2C19MAPTMAPK1KMT2ACYP19A1
Acetic Acid SCHEMBL8839883 0.85 MAPT (0.51) CYP2C19MAPTMAPK1KMT2ACYP19A1
SCHEMBL23865155 0.85 MAPT (0.53) CYP2C19MAPTMAPK1KMT2ACYP19A1
SCHEMBL20192085 0.85 MAPT (0.53) CYP2C19MAPTMAPK1KMT2ACYP19A1

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
US-20030191243-A1 Acrylic polymer composition KURARAY CO., LTD (JP) 2003-10-09 US claimed
US-20030191243-A1 Acrylic polymer composition KURARAY CO., LTD (JP) 2003-10-09 US disclosed
EP-0251553-B2 Stabilized acrylic resin DU PONT (US) 1995-02-08 EP disclosed
EP-0251553-A2 Stabilized acrylic resin E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP disclosed