SCHEMBL9504651

SCHEMBL9504651

N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
METAP1 P53582 3/20 0.43
CTSS P25774 8/20 0.39
TACR1 P25103 2/20 0.39
POLB P06746 1/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL9506681 1.00 METAP2 (0.43) METAP2METAP1CTSSTACR1POLB
SCHEMBL9694637 0.88 TACR1 (0.39) METAP2METAP1CTSSTACR1POLB
SCHEMBL9506639 0.80 CA1 (0.40) CTSSPOLBCTSLCTSBCA1
SCHEMBL9518173 0.78 METAP2 (0.47) METAP2METAP1CTSSCTSLCTSB
SCHEMBL9518165 0.78 METAP2 (0.47) METAP2METAP1CTSSCTSLCTSB
SCHEMBL9505567 0.78 POLB (0.38) METAP2TACR1POLBCA1CA2
SCHEMBL9506657 0.76 POLB (0.38) CTSSTACR1POLBCTSLCTSB
SCHEMBL8116441 0.75 CA1 (0.55) CTSSPOLBCTSLCTSBCA1
SCHEMBL8116438 0.75 CA1 (0.55) CTSSPOLBCTSLCTSBCA1
SCHEMBL9770915 0.73 METAP2 (0.53) METAP2METAP1CTSSCTSLCTSB

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