SCHEMBL9862027

SCHEMBL9862027

C=C(C(=O)OOOC(=O)OCC)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
PIN1 Q13526 1/20 0.35
HSD11B1 P28845 1/20 0.35
RECQL P46063 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MMP8 P22894 1/20 0.35
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9851458 0.85 LMNA (0.39) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL28722852 0.84 MAPT (0.53) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL10482054 0.83 MAPT (0.33) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL5597021 0.78 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHSD17B10
SCHEMBL28678972 0.76 MAPK1 (0.48) ALDH1A1POLBSMN1; SMN2KMT2ATSHR
SCHEMBL7692276 0.74 KMT2A (0.42) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL9242882 0.73 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL28678971 0.72 MAPK1 (0.52) ALDH1A1POLBSMN1; SMN2KMT2ATSHR
SCHEMBL9862034 0.72 MAPK1 (0.41) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL2772373 0.71 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2KMT2ATSHR

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