SCHEMBL8530894

SCHEMBL8530894

CCC(C(=O)O)C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13105113 0.89 MEN1 (0.41) MEN1KMT2AUSP2TSHRMME
SCHEMBL28937194 0.79 FOLH1 (0.54) MEN1KMT2AUSP2TSHRMME
SCHEMBL8529431 0.77 TSHR (0.41) MEN1KMT2AUSP2TSHRMME
SCHEMBL1047552 0.77 CA2 (0.47) MEN1KMT2AUSP2TSHRMME
SCHEMBL15944489 0.77 MMP8 (0.41) MEN1KMT2ATDP1ALDH1A1LMNA
Ethylmalonate SCHEMBL107241 0.76
SCHEMBL20221786 0.75 RNPEP (0.35) MMEACELMNAFOLH1
Ethylmalonate SCHEMBL108039 0.74 HDAC1 (0.43) MEN1KMT2ACHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL83437 0.74 HDAC1 (0.43) MEN1KMT2ACHRM1AKR1A1CHRM3
Ethylmalonate SCHEMBL9118935 0.74 HDAC1 (0.43) MEN1KMT2ACHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed