SCHEMBL9507429

SCHEMBL9507429

N[C@@H](CC1CCCCC1)[C@@H](O)C(O)C(O)CO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.45
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
METAP2 P50579 7/20 0.38
METAP1 P53582 5/20 0.38
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 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
SCHEMBL9506691 1.00 REN (0.45) RENLMNAL3MBTL1TDP1METAP2
SCHEMBL9503799 1.00 REN (0.45) RENLMNAL3MBTL1TDP1METAP2
SCHEMBL8910518 0.94 REN (0.49) RENLMNAL3MBTL1TDP1METAP2
SCHEMBL7272557 0.94 REN (0.49) RENLMNAL3MBTL1TDP1METAP2
SCHEMBL5709598 0.86 REN (0.44) RENMETAP2METAP1
SCHEMBL5709564 0.86 REN (0.44) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL9848324 0.86 REN (0.47) RENLMNAMETAP2METAP1
SCHEMBL8913327 0.84 REN (0.50) RENMETAP2METAP1
SCHEMBL8913322 0.84 REN (0.50) RENMETAP2METAP1
SCHEMBL8913320 0.84 REN (0.50) RENMETAP2METAP1

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
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 EP disclosed
WO-1992003472-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1992-03-05 WO disclosed