SCHEMBL11735979

SCHEMBL11735979

CCOC(=O)C=C(C)NC([C]=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
MDM2 Q00987 2/20 0.48
MDM4 O15151 1/20 0.48
MMP8 P22894 1/20 0.42
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
PIN1 Q13526 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
CCR6 P51684 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37

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 0.81 MAPT (0.50) MAPTLMNAMDM2MDM4MMP8
SCHEMBL9301284 0.81 MAPT (0.50) MAPTLMNAMDM2MDM4MMP8
SCHEMBL8680909 0.81 MAPT (0.50) MAPTLMNAMDM2MDM4MMP8
SCHEMBL1994994 0.80 ATM (0.48) MAPTLMNAMDM2MDM4MMP8
SCHEMBL1994993 0.80 ATM (0.48) MAPTLMNAMDM2MDM4MMP8
SCHEMBL8624954 0.80 MAPT (0.49) MAPTLMNAMDM2MDM4MMP8
SCHEMBL11607920 0.79 MAPT (0.48) MAPTLMNAMDM2MDM4MMP8
Potassium Ion SCHEMBL8624951 0.79 MAPT (0.48) MAPTLMNAMDM2MDM4MMP8
Potassium Ion SCHEMBL29349588 0.79 MAPT (0.48) MAPTLMNAMDM2MDM4MMP8
SCHEMBL9301307 0.79 MAPT (0.48) MAPTLMNAMDM2MDM4MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed