SCHEMBL27926712

SCHEMBL27926712

O=Cc1cc(C(=O)CN(CCCCCCCCCCc2ccccc2)Cc2ccccc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.47
▸ APP P05067 2/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ NCOR2 Q9Y618 2/20 0.39
▸ CBS P35520 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SGMS1 Q86VZ5 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.38
▸ ERN1 O75460 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
SCHEMBL10077369 0.94 CDK1 (0.42) CDK1ACHE
SCHEMBL14030634 0.81 CDK1 (0.43) CDK1SIGMAR1
SCHEMBL11671235 0.79 KDM5A (0.50) APPHDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11670377 0.78 KDM5A (0.49) APPHDAC3HDAC1HDAC2HDAC8
SCHEMBL10477860 0.78 KDM4E (0.41) ACHE
Hydrochloric Acid SCHEMBL11671409 0.77 PKM (0.43) APPHDAC3HDAC1HDAC2HDAC8
SCHEMBL10076826 0.76 MAOB (0.43) APP
SCHEMBL6292406 0.76 L3MBTL1 (0.44) CDK1HDAC3HDAC1HDAC2NCOR2
SCHEMBL10592068 0.76 MAOB (0.40) APPPPARGACHE
SCHEMBL19422883 0.74 MAOB (0.35) APPHDAC1PPARGACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 — — CN claimed
CN-103420856-B Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2015-07-01 — — CN disclosed
CN-103420856-B Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2015-07-01 — — CN disclosed
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 — — CN disclosed
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 — — CN disclosed
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