SCHEMBL8445831

SCHEMBL8445831

C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.OC=Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ELANE P08246 2/20 0.48
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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 SCHEMBL5394275 0.89 CYP2C19 (0.62) CYP2C19KMT2ANPSR1MEN1HTT
Styrene SCHEMBL5394272 0.89 CYP2C19 (0.62) CYP2C19KMT2ANPSR1MEN1HTT
SCHEMBL28459427 0.87 CYP2C19 (0.76) CYP2C19KMT2ANPSR1MEN1HTT
Phenol SCHEMBL8023921 0.85 MAPT (0.61) CYP2C19KMT2ANPSR1MEN1ELANE
SCHEMBL28099765 0.84 CYP2C19 (0.55) CYP2C19KMT2ANPSR1MEN1ELANE
SCHEMBL9155348 0.84 CYP2C19 (0.55) CYP2C19KMT2ANPSR1MEN1ELANE
SCHEMBL7120004 0.84 CYP2C19 (0.55) CYP2C19KMT2ANPSR1MEN1ELANE
Phenol SCHEMBL8035610 0.83 CYP2C19 (0.70) CYP2C19KMT2ANPSR1MEN1HTT
Acetic Acid SCHEMBL8839883 0.83 MAPT (0.51) CYP2C19KMT2AMAPTMAPK1CYP19A1
Acetic Acid SCHEMBL27635724 0.83 MAPT (0.51) CYP2C19KMT2AMAPTMAPK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962184-A Photoresist composition comprising a copolymer of a hydroxystyrene and a (meth)acrylate substituted with an alicyclic ester substituent INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-10-05 US disclosed