SCHEMBL8629968

SCHEMBL8629968

Cc1cc(C(=O)O)c(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.63
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 1/20 0.38
NOTUM Q6P988 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 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
SCHEMBL8653214 0.81 DAO (0.41) DAOALDH1A1LMNAMAPK1TSHR
SCHEMBL25467797 0.78 SMN1; SMN2 (0.47) DAOALDH1A1LMNANPSR1RXFP1
SCHEMBL792551 0.77 DAO (1.00) DAOALDH1A1LMNAMAPK1KDM4E
SCHEMBL287087 0.77 ALDH1A1 (0.57) DAOALDH1A1LMNAMAPK1TSHR
SCHEMBL4547877 0.76 ALDH1A1 (0.55) DAOALDH1A1LMNAMAPK1TSHR
SCHEMBL18701535 0.76 DAO (0.65) DAOALDH1A1TSHRKDM4EMAPT
SCHEMBL3932937 0.74 ALDH1A1 (0.58) DAOALDH1A1LMNAMAPK1TSHR
SCHEMBL26288263 0.74 DAO (0.63) DAOALDH1A1TSHRRXFP1GSK3B
SCHEMBL2825614 0.74 ALDH1A1 (0.53) DAOALDH1A1LMNAMAPK1TSHR
SCHEMBL18701672 0.74 DAO (0.63) DAOALDH1A1MAPK1TSHRKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed