SCHEMBL7411199

SCHEMBL7411199

C[C@H](NNC(=O)CC1CCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
P2RX7 Q99572 3/20 0.42
EPHX2 P34913 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 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
SCHEMBL6136574 0.82 LTA4H (0.52) LTA4HKMT2AHPGDEPHX1EPHX2
SCHEMBL4414768 0.82 LTA4H (0.52) LTA4HKMT2AHPGDEPHX1EPHX2
SCHEMBL6136289 0.81 LTA4H (0.55) LTA4HKMT2AHPGDEPHX1P2RX7
SCHEMBL6136293 0.81 LTA4H (0.55) LTA4HKMT2AHPGDEPHX1P2RX7
SCHEMBL6136421 0.74 SMN1; SMN2 (0.49) LTA4HEPHX1RAB9ASMN1; SMN2
SCHEMBL4424684 0.74 SMN1; SMN2 (0.49) LTA4HEPHX1RAB9ASMN1; SMN2
SCHEMBL7882899 0.74 KMT2A (0.53) KMT2AHPGDEPHX1P2RX7EPHX2
SCHEMBL15906239 0.72 ALDH1A1 (0.54) LTA4HKMT2AHPGDEPHX1EPHX2
SCHEMBL7437533 0.72 HPGD (0.57) LTA4HKMT2AHPGDEPHX1P2RX7
SCHEMBL29700260 0.71 MME (0.37) LTA4HKMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO disclosed