SCHEMBL10504030

SCHEMBL10504030

CC(C)(CNC(=O)CCCCO[N+](=O)[O-])NCC(O)COc1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CASR P41180 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADRB2 P07550 3/20 0.37
▸ ADRB1 P08588 3/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NLRP1 Q9C000 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
SCHEMBL10504594 0.97 SLC2A1 (0.47) SLC2A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL10503152 0.92 L3MBTL1 (0.48) SLC2A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL10503760 0.90 L3MBTL1 (0.48) SLC2A1MEN1KMT2AL3MBTL1HPGD
Fumaric Acid SCHEMBL10592582 0.88 L3MBTL1 (0.44) SLC2A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL10504638 0.88 SLC2A1 (0.46) SLC2A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL10592973 0.83 CASR (0.49) MEN1KMT2ASMN1; SMN2KDM4ECASR
SCHEMBL10504761 0.83 L3MBTL1 (0.47) SLC2A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL10503951 0.82 GRK3 (0.40) MEN1KMT2AL3MBTL1CASRADRB2
SCHEMBL10507089 0.81 L3MBTL1 (0.38) L3MBTL1CASRADRB2ADRB1ADRB3
SCHEMBL10592451 0.81 ADRB2 (0.41) MEN1KMT2ACASRADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 — — EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 — — US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 — — EP disclosed
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