SCHEMBL9848002

SCHEMBL9848002

C/C(=C/C(C)(C)c1ccc(C(C)C)cc1)C(=O)OOOC(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10596750 0.88 TSHR (0.36) CYP2D6CYP2C9MEN1KMT2A
SCHEMBL9862099 0.87 EPHX1 (0.32) CYP2D6CYP2C9HIF1A
SCHEMBL9847989 0.86 LMNA (0.38) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL9171037 0.82 CYP2C9 (0.41) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL8762526 0.81 CYP2D6 (0.36) CYP2D6CYP2C9HIF1A
SCHEMBL8763275 0.79 CYP2D6 (0.36) CYP2D6CYP2C9HIF1A
SCHEMBL8763053 0.79 CYP2D6 (0.34) CYP2D6CYP2C9HIF1A
SCHEMBL9847927 0.78 CYP2D6 (0.37) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL9848006 0.74 CYP2D6 (0.34) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL7692607 0.68 CYP1A2 (0.32) CYP2D6HIF1AKMT2A

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
EP-0422229-A1 ADHESIVE RESIN COMPOSITION, PREPARATION THEREOF, AND LAMINATE COMPRISING SAME NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-17 EP disclosed