SCHEMBL7714554

SCHEMBL7714554

CCCC(CCC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CPA3 P15088 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45

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
SCHEMBL6821357 0.91 CPA3 (0.56) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL9889372 0.91 MAPT (0.58) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL11517845 0.89 MAPT (0.56) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL2761665 0.89 MAPT (0.56) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL12475390 0.84 MMP2 (0.52) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL27992180 0.84 MMP2 (0.59) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL1828579 0.84 MAPT (0.54) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7708927 0.83 NPC1 (0.48) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL28770741 0.83 MMP2 (0.58) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL9390878 0.83 RAB9A (0.58) NPC1MAPTMAPK1HTTRAB9A

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
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed