SCHEMBL9831358

SCHEMBL9831358

CCCS(=O)(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.60
METAP2 P50579 7/20 0.45
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP1 P53582 5/20 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
SCHEMBL9698131 0.82 REN (0.52) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL9831355 0.82 REN (0.53) RENMETAP2METAP1
SCHEMBL10611167 0.80 REN (0.49) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL7290532 0.80 REN (0.49) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL9831906 0.76 CTSS (0.43) REN
SCHEMBL7288187 0.74 REN (0.56) RENMETAP2ALDH1A1KMT2A
SCHEMBL14420308 0.74 REN (0.44) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL14415383 0.74 REN (0.44) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL10611293 0.74 REN (0.53) RENMETAP2ALDH1A1KMT2AMETAP1
SCHEMBL628815 0.73 CYP1A2 (0.44) RENALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed