SCHEMBL740751

SCHEMBL740751

NN(C(=O)C1CCCN(C(=O)O)C1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 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
SCHEMBL740947 0.83 MEN1 (0.47) HPGDALDH1A1POLB
SCHEMBL742645 0.76 RAB9A (0.42) HPGDALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3723522 0.71 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1GAAPKM
Hydrochloric Acid SCHEMBL6998897 0.70 ALDH1A1 (0.60) ALDH1A1LMNAL3MBTL1GAAPKM
SCHEMBL15321741 0.69 BCHE (0.50) HPGDALDH1A1LMNAGAANPC1
SCHEMBL4755206 0.68 POLB (0.52) ALDH1A1KDM4EPOLBL3MBTL1GAA
SCHEMBL740750 0.68 RHOA (0.47) HPGDALDH1A1LMNAPOLBRAB9A
SCHEMBL6790893 0.68 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL2199482 0.68 ALDH1A1 (0.53) HPGDALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL4021117 0.68 ALDH1A1 (0.43) HPGDALDH1A1LMNAPOLBHTT

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed