SCHEMBL7385104

SCHEMBL7385104

CCOC(=O)C1=Cc2cccc(Cl)c2OCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PREP P48147 2/20 0.37
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
GRM6 O15303 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL7385304 0.87 MAPT (0.39) L3MBTL1TDP1ALDH1A1KDM4ECA12
SCHEMBL7696668 0.86 CA12 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL7699846 0.86 TSHR (0.46) L3MBTL1TDP1ALDH1A1KDM4ECA12
SCHEMBL7385154 0.85 ALDH1A1 (0.43) L3MBTL1TDP1ALDH1A1KDM4EMAPK1
SCHEMBL7386364 0.85 CA12 (0.37) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL7698997 0.85 CYP4F2 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL7388616 0.84 TSHR (0.45) L3MBTL1TDP1ALDH1A1KDM4EMAPK1
SCHEMBL7700639 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL7702968 0.84 TSHR (0.41) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL7697790 0.83 ALDH1A1 (0.35) TDP1ALDH1A1KDM4EMAPK1CA12

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-1998055475-A1 GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed