SCHEMBL13189129

SCHEMBL13189129

CCCN(C(=N)NC(=O)OCc1ccccc1)C(=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
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 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
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL15220107 0.93 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13188795 0.90 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL989681 0.88 CCR6 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7355378 0.88 HTT (0.50) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL16667746 0.87 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7359293 0.85 HTT (0.53) NPC1RAB9ASMN1; SMN2LMNACCR6
SCHEMBL9228433 0.84 HTT (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7352889 0.84 HTT (0.52) NPC1RAB9ASMN1; SMN2LMNACCR6
SCHEMBL8029842 0.83 HTT (0.51) SMN1; SMN2LMNACCR6PAX8CA12
SCHEMBL7357380 0.83 HTT (0.51) SMN1; SMN2LMNACCR6PAX8CA12

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
WO-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 WO disclosed