SCHEMBL5567940

SCHEMBL5567940

CCC(N)c1cccc(C(=O)OC(C)(C)C)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ LTA4H P09960 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLRA1 P23415 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 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
Hydrochloric Acid SCHEMBL1187626 0.99 KDM4E (0.42) KDM4ESLC7A5LTA4HSYKSMN1; SMN2
SCHEMBL12980561 0.77 SMN1; SMN2 (0.43) SLC7A5LTA4HSYKSMN1; SMN2LMNA
SCHEMBL1185406 0.76 LMNA (0.41) SLC7A5LMNAHPGDALDH1A1
Hydrochloric Acid SCHEMBL27871166 0.76 SLC7A5 (0.39) SLC7A5
Hydrochloric Acid SCHEMBL1185110 0.76 SMN1; SMN2 (0.41) KDM4ESLC7A5LTA4HSYKSMN1; SMN2
SCHEMBL6660069 0.73 MAPT (0.47) KDM4ESMN1; SMN2LMNAHPGDL3MBTL1
Ethylbenzene SCHEMBL16672780 0.72 CRHBP (0.43) SLC7A5SYKGLRA1CRHBPCRHR2
SCHEMBL19511860 0.72 PTGER1 (0.49) SMN1; SMN2L3MBTL1KMT2AHTTMAPK1
SCHEMBL8408603 0.72 ALDH1A1 (0.54) KDM4EGLRA1LMNAHPGDL3MBTL1
SCHEMBL12980479 0.71 CFD (0.47) KDM4ESLC7A5LTA4HSMN1; SMN2L3MBTL1

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
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 — — EP disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 — — EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 — — EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 — — EP disclosed
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