SCHEMBL5757246

SCHEMBL5757246

COc1ccc(CNC(=O)[C@](N)(CSCC2CCCCC2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.45
CACNA1B Q00975 4/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
CPB2 Q96IY4 1/20 0.40
MDM2 Q00987 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5755414 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5356355 0.88 GAA (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL5356190 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5352506 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5349008 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5752916 0.86 EPHX1 (0.45) ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL5353582 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5759150 0.82 CACNA1B (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5364198 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5350936 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed