SCHEMBL7599382

SCHEMBL7599382

CN(C(=O)OCc1ccccc1)C(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ABCB1 P08183 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL5107181 0.87 SMN1; SMN2 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5127966 0.79 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAABCB1
SCHEMBL19007840 0.79 ALDH1A1 (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL5127967 0.79 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAABCB1
SCHEMBL19007841 0.79 NPC1 (0.47) NPC1RAB9AALDH1A1CTSLCTSB
SCHEMBL8363864 0.78 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15184648 0.78 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5097623 0.78 LMNA (0.50) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5100754 0.77 LMNA (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6254655 0.77 LMNA (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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-0983232-B1 GUANIDINYLATION REAGENTS UNIV CALIFORNIA (US) 2002-11-13 EP claimed