SCHEMBL7212260

SCHEMBL7212260

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.46
LTA4H P09960 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
PYGL P06737 1/20 0.39
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
METAP2 P50579 3/20 0.38
METAP1 P53582 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CPB2 Q96IY4 2/20 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
SCHEMBL7357449 0.86 LTA4H (0.54) RENLTA4HGRNSORT1CTSK
SCHEMBL8229720 0.83 LTA4H (0.43) RENLTA4HGRNSORT1CTSK
SCHEMBL10710541 0.83 LTA4H (0.40) RENLTA4HGRNSORT1PYGL
SCHEMBL13038056 0.83 LTA4H (0.43) RENLTA4HGRNSORT1CTSK
SCHEMBL7401954 0.83 CTSS (0.56) RENCTSKCTSS
SCHEMBL7311968 0.83 CTSS (0.56) RENCTSKCTSS
SCHEMBL5847958 0.83 CTSS (0.56) RENCTSKCTSS
SCHEMBL13134807 0.83 CTSS (0.56) RENCTSKCTSS
SCHEMBL7872157 0.83 CTSS (0.56) RENCTSKCTSS
SCHEMBL9819695 0.83 CTSS (0.56) RENCTSKCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934923-B1 OPTICALLY ACTIVE ERYTHRO-3-AMINO-2-HYDROXYBUTYRIC ESTERS AND PROCESS FOR PREPARING SAID ESTERS NIPPON KAYAKU KK (JP) 2003-04-02 EP disclosed
US-6063955-A OXIDIZING A THREO OR THREO-ERYTHRO-3-AMINO-2-HYDROXYBUTYRIC ACID ESTER, OPTICALLY ACTIVE AT 3-POSITION TO PRODUCE AN OPTICALLY ACTIVE 3-AMINO-2-OXOBUTYRIC ESTER, REDUCING ERYTHRO-SELECTIVELY CARBONYL GROUP AT 2-POSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-05-16 US disclosed
EP-0934923-A1 OPTICALLY ACTIVE ERYTHRO-3-AMINO-2-HYDROXYBUTYRIC ESTERS AND PROCESS FOR PREPARING SAID ESTERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed