SCHEMBL18858804

SCHEMBL18858804

CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
PPARA Q07869 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL5637807 0.91 HDAC1 (0.49) PPARAPTPN1HDAC1HDAC2ALOX15
SCHEMBL1595091 0.89 L3MBTL1 (0.46) MAPTPPARAPTPN1KDM4EL3MBTL1
SCHEMBL25273703 0.88 MAOB (0.50) RAB9AMAPTPARP10KDM4EALDH1A1
SCHEMBL16380530 0.87 L3MBTL1 (0.47) MAPTPPARAKDM4EL3MBTL1NPC1
SCHEMBL20442778 0.87 KDM4E (0.46) MAPTPARP10KDM4EALDH1A1L3MBTL1
SCHEMBL1594471 0.87 APP (0.46) MAPTPTPN1ALDH1A1L3MBTL1
SCHEMBL30325083 0.86 CHRNB2 (0.48) MAPTKDM4EMTNR1AMTNR1B
SCHEMBL30324886 0.86 CHRNB2 (0.48) MAPTKDM4EMTNR1AMTNR1B
SCHEMBL1594876 0.85 CA12 (0.40) MAPTPTPN1L3MBTL1
SCHEMBL21348713 0.85 APP (0.48) MAPTPTPN1L3MBTL1

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-20170138936-A1 METHOD FOR CAPTURING TARGET SUBSTANCE, SOLID-PHASE CARRIER FOR CAPTURING TARGET SUBSTANCE, AND METHOD FOR PRODUCING SOLID-PHASE CARRIER JSR CORPORATION (JP) 2017-05-18 US disclosed