SCHEMBL9862022

SCHEMBL9862022

CCOC(=O)OOCCOC(=O)C=COOC(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ESR1 P03372 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9851460 0.88 LMNA (0.37) LMNASMN1; SMN2HTTESR1CYP2D6
SCHEMBL9862015 0.87 HCAR2 (0.35) LMNACYP2D6RAB9ANPC1MEN1
SCHEMBL4224940 0.85 CYP2D6 (0.38) LMNASMN1; SMN2HTTEGFRERBB2
SCHEMBL8761490 0.82 CYP2D6 (0.36) LMNASMN1; SMN2HTTEGFRERBB2
SCHEMBL10498335 0.79 HCAR2 (0.33)
SCHEMBL8972266 0.78 CYP2D6 (0.33) EGFRERBB2CYP2D6CYP2C9HIF1A
SCHEMBL9862102 0.77 HCAR2 (0.32)
SCHEMBL9847991 0.76 EPHX1 (0.32) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9847930 0.75 CYP2D6 (0.35) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL9862043 0.74 MAPK1 (0.39) LMNASMN1; SMN2MEN1KMT2A

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-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed