SCHEMBL22491995

SCHEMBL22491995

C=C(C)C(=O)NC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
FAAH O00519 6/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43

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
SCHEMBL194620 1.00 HSP90AA1 (0.53) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL194941 1.00 HSP90AA1 (0.53) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL3796054 1.00 HSP90AA1 (0.53) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL2926477 0.98 HSP90AA1 (0.50) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL195107 0.92 ALDH1A1 (0.47) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL5060564 0.90 HRH3 (0.57) FAAHKMT2AMEN1MAPTPPARG
SCHEMBL1513861 0.90 HRH3 (0.57) FAAHKMT2AMEN1MAPTPPARG
SCHEMBL31009028 0.86 HSP90AA1 (0.64) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL14508042 0.84 HSP90AA1 (0.57) HSP90AA1FAAHKMT2AMEN1MAPK1
SCHEMBL194934 0.84 HDAC3 (0.46) KMT2AMEN1MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200378061-A1 COMPOSITIONS, TREATING METHODS, AND TREATED FIBROUS SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY 2020-12-03 US disclosed
EP-3717691-A1 COMPOSITIONS, TREATING METHODS, AND TREATED FIBROUS SUBSTRATES 3M Innovative Properties Company (US) 2020-10-07 EP disclosed
CN-111417753-A Composition, treatment method and treated fibrous substrate 3M创新有限公司 2020-07-14 CN disclosed
CN-1250647-A Thickening agent used for compositions contg. surfactant BASF AG (DE) 2000-04-19 CN disclosed