SCHEMBL9505567

SCHEMBL9505567

NC(C[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SLC1A1 P43005 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
METAP2 P50579 1/20 0.33

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
SCHEMBL9506639 0.80 CA1 (0.40) POLBLNPEPCA1CA2CA7
SCHEMBL9504651 0.78 METAP2 (0.43) POLBCA1CA2CA7CA9
SCHEMBL9506681 0.78 METAP2 (0.43) POLBCA1CA2CA7CA9
SCHEMBL18580070 0.78 TACR1 (0.49) POLBSLC1A1LNPEPCA1CA2
Hydrochloric Acid SCHEMBL8817784 0.75 TACR1 (0.49) POLBSLC1A1CA1CA2CA7
SCHEMBL9694637 0.74 TACR1 (0.39) POLBLNPEPTACR1METAP2
SCHEMBL9504654 0.74 CA1 (0.46) POLBCA1CA2CA7CA9
SCHEMBL9504650 0.74 CA1 (0.46) POLBCA1CA2CA7CA9
SCHEMBL10475483 0.72 CA1 (0.50) POLBCA1CA2CA7CA9
SCHEMBL1355001 0.72 SLC6A2 (0.44) POLBKMT2ACYP3A4

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 1 patent. 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