SCHEMBL28540372

SCHEMBL28540372

CCCCOC(C)(OCCCC)OC(C)OC(C)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.40
NR1H4 Q96RI1 5/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4A P47712 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
LTB4R Q15722 1/20 0.36

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
SCHEMBL17698436 0.84 NR1H4 (0.46) PLA2G4BNR1H4KMT2APTPN11TP53
SCHEMBL17797896 0.83 TSHR (0.46) PLA2G4BTP53TSHRPLA2G4ACYP2C9
SCHEMBL1189460 0.82 ALDH1A1 (0.52) KMT2APTPN11TP53TSHR
SCHEMBL6562485 0.80 ALDH1A1 (0.56) KMT2APTPN11TP53TSHRNPC1
SCHEMBL6561331 0.80 ALDH1A1 (0.56) KMT2APTPN11TP53TSHRNPC1
SCHEMBL6560952 0.80 ALDH1A1 (0.56) KMT2APTPN11TP53TSHRNPC1
SCHEMBL809658 0.80 PLA2G4B (0.47) PLA2G4BNR1H4KMT2APTPN11TP53
SCHEMBL28981708 0.80 NR1H4 (0.49) PLA2G4BNR1H4KMT2APTPN11TP53
SCHEMBL28626758 0.80 TSHR (0.50) KMT2ATP53TSHRNPC1CYP2C9
SCHEMBL809487 0.79 TSHR (0.43) NR1H4TSHRNPC1CYP2C9RAB9A

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
CN-107090265-B Re-peelable adhesive and surface protective film 东洋油墨SC控股株式会社 2021-03-12 CN disclosed