SCHEMBL9504627

SCHEMBL9504627

OC[C@@H](O)[C@H](O)[C@H](O)CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
METAP2 P50579 1/20 0.32
HPGD P15428 1/20 0.32
EPHX1 P07099 1/20 0.30

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
SCHEMBL10768147 0.88 METAP1 (0.44) METAP1CYP1A2SIGMAR1METAP2HPGD
SCHEMBL7334866 0.80 METAP1 (0.50) METAP1CYP1A2SIGMAR1METAP2
SCHEMBL10582459 0.80 METAP1 (0.50) METAP1CYP1A2SIGMAR1METAP2
SCHEMBL11741993 0.79 METAP1 (0.44) METAP1CYP1A2SIGMAR1METAP2HPGD
SCHEMBL10769102 0.78 METAP1 (0.41) METAP1CYP1A2SIGMAR1METAP2
SCHEMBL1111381 0.77 METAP1 (0.46) METAP1LMNACYP1A2SIGMAR1METAP2
SCHEMBL10590223 0.74 METAP1 (0.38) METAP1CYP1A2SIGMAR1METAP2
SCHEMBL11739573 0.74 METAP1 (0.42) METAP1LMNACYP1A2SIGMAR1METAP2
SCHEMBL10771183 0.73 METAP1 (0.43) METAP1CYP1A2SIGMAR1METAP2HPGD
SCHEMBL10791471 0.73 CYP1A2 (0.50) METAP1LMNACYP1A2SIGMAR1METAP2

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