SCHEMBL7272902

SCHEMBL7272902

C[C@@H](O)CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
CYP1A2 P05177 1/20 0.44
METAP2 P50579 1/20 0.41
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.35

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
SCHEMBL1791563 1.00 METAP1 (0.47) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL13429375 1.00 METAP1 (0.47) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL6663470 1.00 METAP1 (0.47) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL13068702 0.98 METAP1 (0.44) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL13461629 0.93
SCHEMBL5470743 0.87
SCHEMBL8730104 0.86 CYP1A2 (0.52) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL6566364 0.84 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1
SCHEMBL7441567 0.80 METAP1 (0.43) METAP1CYP1A2METAP2SIGMAR1MEN1
SCHEMBL9384040 0.80 CYP1A2 (0.48) METAP1CYP1A2METAP2SIGMAR1

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-0264795-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-27 EP disclosed