SCHEMBL7301941

SCHEMBL7301941

C=CC[C@@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TGM2 P21980 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.40
CTRB1 P17538 2/20 0.39

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
SCHEMBL7301947 1.00 MEN1 (0.45) MEN1KMT2ATGM2SMN1; SMN2LMNA
SCHEMBL9458325 0.91 MEN1 (0.47) MEN1KMT2ATGM2SMN1; SMN2LMNA
SCHEMBL7291852 0.89 MEN1 (0.54) MEN1KMT2ATGM2SMN1; SMN2LMNA
SCHEMBL16862506 0.88 MEN1 (0.46) MEN1KMT2ATGM2SMN1; SMN2LMNA
SCHEMBL7271033 0.87 KMT2A (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9457600 0.86 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9457593 0.86 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9458321 0.85 MEN1 (0.43) MEN1KMT2ATGM2SMN1; SMN2LMNA
SCHEMBL7291857 0.85 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL7385326 0.83 MEN1 (0.43) MEN1KMT2ATGM2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed