SCHEMBL7787285

SCHEMBL7787285

CCOC(=O)C(Cc1ccccn1)(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PPARG P37231 1/20 0.38
FDPS P14324 1/20 0.38
PIN1 Q13526 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
SYK P43405 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
SCHEMBL5861519 0.94 TRPM8 (0.47) TRPM8KDM4EALDH1A1HIF1AMAPT
SCHEMBL7780059 0.91 RAB9A (0.43) KDM4EALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL5860443 0.85 L3MBTL1 (0.41) TRPM8KDM4EALDH1A1L3MBTL1NPC1
SCHEMBL5861527 0.84 RAB9A (0.46) TRPM8KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7780096 0.81 ALDH1A1 (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5862688 0.81 SMN1; SMN2 (0.53) KDM4EALDH1A1MAPTHTTL3MBTL1
SCHEMBL5860161 0.80 POLB (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5862800 0.80 ATM (0.48) KDM4EALDH1A1MAPTHTTL3MBTL1
SCHEMBL7788753 0.80 ALDH1A1 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL5140898 0.77 CYP1A2 (0.48) TRPM8KDM4EALDH1A1NPC1RAB9A

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-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed