SCHEMBL9862009

SCHEMBL9862009

C=C(OOC(C)(C)c1ccccc1)C(=O)OC(C)OOC(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CACNA1G O43497 1/20 0.31
PIN1 Q13526 1/20 0.31
HSD11B1 P28845 1/20 0.31
ATM Q13315 1/20 0.31
ALOX15 P16050 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
SCHEMBL9862034 0.85 MAPK1 (0.41) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL10498331 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9861992 0.82 MAPK1 (0.33) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL2772378 0.81 MAPK1 (0.42) MAPTALDH1A1MAPK1LMNAKMT2A
Propane SCHEMBL10713734 0.81 MAPK1 (0.37) MAPTALDH1A1MAPK1KMT2AALOX15
SCHEMBL9862098 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8525637 0.79 MAPK1 (0.38) ALDH1A1MAPK1HSD17B10ATMALOX15
SCHEMBL28678971 0.79 MAPK1 (0.52) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL7692320 0.79 MAPK1 (0.40) MAPTALDH1A1MAPK1KMT2AHSD17B10
SCHEMBL10482056 0.79 MAPK1 (0.36) MAPTALDH1A1MAPK1ALOX15

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