SCHEMBL10433763

SCHEMBL10433763

N[C@@H](CC1CCCCC1)[C@@H](O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.45
METAP2 P50579 3/20 0.45
METAP1 P53582 3/20 0.45
LMNA P02545 1/20 0.40
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 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
SCHEMBL3293610 0.87 REN (0.45) RENMETAP2METAP1
SCHEMBL7353974 0.84 LMNA (0.43) METAP2METAP1LMNA
SCHEMBL272993 0.83 REN (0.47) RENMETAP2METAP1SLC1A3SLC1A2
SCHEMBL21690082 0.83 REN (0.47) RENMETAP2METAP1SLC1A3SLC1A2
SCHEMBL7151431 0.83 REN (0.47) RENMETAP2METAP1SLC1A3SLC1A2
SCHEMBL287986 0.81 ANPEP (0.47) LMNASLC1A3SLC1A2SLC1A1GABRP
SCHEMBL4404266 0.81 ANPEP (0.47) LMNASLC1A3SLC1A2SLC1A1GABRP
SCHEMBL7274772 0.80 REN (0.44) RENMETAP2METAP1GABRPGABRD
SCHEMBL10727830 0.79 METAP1 (0.49) RENMETAP2METAP1CYP1A2
SCHEMBL10520380 0.79 REN (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369141-A1 Aspartic protease inhibitors for the treatment of diseases caused by retroviruses MERCK PATENT GmbH (DE) 1990-05-23 EP disclosed