SCHEMBL11863602

SCHEMBL11863602

CCOC(=O)C=C(C)NC(C(=O)O)c1ccccc1.CCOC(=O)OC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MDM4 O15151 1/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43
ATM Q13315 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 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
SCHEMBL28088781 0.91 MAPT (0.50) MAPTMDM4LMNAMDM2ATM
SCHEMBL8680909 0.91 MAPT (0.50) MAPTMDM4LMNAMDM2ATM
SCHEMBL9301284 0.91 MAPT (0.50) MAPTMDM4LMNAMDM2ATM
Diethyl Pyrocarbonate SCHEMBL11863610 0.90 MAPT (0.45) MAPTMDM4LMNAMDM2ATM
Diethyl Pyrocarbonate SCHEMBL11863590 0.90 MAPT (0.45) MAPTMDM4LMNAMDM2ATM
SCHEMBL8624954 0.89 MAPT (0.49) MAPTMDM4LMNAMDM2ATM
SCHEMBL11863595 0.83 MAPT (0.46) MAPTMDM4LMNAMDM2ATM
SCHEMBL3987755 0.81 FOLH1 (0.46) MAPTMDM4LMNAMDM2ATM
SCHEMBL3987754 0.81 FOLH1 (0.46) MAPTMDM4LMNAMDM2ATM
Potassium Ion SCHEMBL8624951 0.81 MAPT (0.48) MAPTMDM4LMNAMDM2ATM

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
US-3989688-A Process for producing 6-amino penicillanic acid derivatives BIOCRAFT LABORATORIES, INC. (US) 1976-11-02 US disclosed