SCHEMBL9862000

SCHEMBL9862000

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 3/20 0.36
THRB P10828 2/20 0.36
PIN1 Q13526 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
HSD11B1 P28845 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 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
SCHEMBL9862019 0.86 LMNA (0.37) TSHRMEN1KMT2AALDH1A1CYP2C9
SCHEMBL10498325 0.80 ALDH1A1 (0.38) THRBTSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9862091 0.77 THRB (0.36) THRBTSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL28678971 0.75 MAPK1 (0.52) PIN1POLBTSHRMEN1KMT2A
SCHEMBL7692315 0.75 CYP2C19 (0.33) THRBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL8883023 0.73 MAPK1 (0.53) THRBTSHRMEN1KMT2AALDH1A1
SCHEMBL28678972 0.70 MAPK1 (0.48) PIN1POLBTSHRMEN1KMT2A
SCHEMBL9847912 0.70 ALDH1A1 (0.46) THRBTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL9242598 0.69 ALDH1A1 (0.50) THRBTSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL18051656 0.68 THRB (0.47) THRBPOLBTSHRMEN1KMT2A

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