SCHEMBL456296

SCHEMBL456296

O=C(CN(CCCCCCOCCCCc1ccccc1)Cc1ccccc1)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.43
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ MAOB P27338 4/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10477760 0.84 MEN1 (0.47) MAOB
SCHEMBL10488546 0.82 RAF1 (0.38) MAOBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11750936 0.82 SMN1; SMN2 (0.47) MAOBALDH1A1EGFRNPC1HPGD
SCHEMBL9574255 0.80 FOLH1 (0.41) FOLH1PDE4APDE4BPDE4CPDE4D
SCHEMBL9763320 0.80 KDM4E (0.40) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10076826 0.80 MAOB (0.43) MAOBEGFR
SCHEMBL9668333 0.79 MAOB (0.42) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9574173 0.78 MAOB (0.43) MAOBEGFR
SCHEMBL10077369 0.77 CDK1 (0.42) MAOBKDM4E
SCHEMBL10477860 0.77 KDM4E (0.41) MAOBKDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 — — WO claimed
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 — — WO disclosed
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