SCHEMBL9851458

SCHEMBL9851458

C=C(C(=O)OOOC(=O)OCC)C(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
EPHX1 P07099 1/20 0.33
HPGD P15428 2/20 0.32
PTPN5 P54829 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9847983 0.86 EPHX1 (0.33) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL9847927 0.85 CYP2D6 (0.37) CYP2D6CYP2C9HIF1APTPN5MEN1
SCHEMBL9862027 0.85 ALDH1A1 (0.41) SMN1; SMN2HIF1AMEN1KMT2AALDH1A1
SCHEMBL9847989 0.79 LMNA (0.38) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL8762517 0.78 CYP2C9 (0.41) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL8853450 0.76 CYP2D6 (0.38) HTTCYP2D6CYP2C9HIF1ARAB9A
SCHEMBL4224938 0.76 CYP2D6 (0.38) CYP2D6CYP2C9HIF1APTPN5
SCHEMBL8972312 0.76 CYP2D6 (0.40) SMN1; SMN2CYP2D6CYP2C9HIF1ARAB9A
SCHEMBL10169477 0.74 LMNA (0.49) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL10482054 0.74 MAPT (0.33) SMN1; SMN2HIF1AL3MBTL1MEN1KMT2A

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