SCHEMBL27720101

SCHEMBL27720101

CCCCCCCCCCCC(=O)NOC(=O)C(=O)ONC(=O)CCCCCCCCCCC.[NaH].[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
FAAH O00519 6/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CNR2 P34972 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
DNM1 Q05193 1/20 0.49
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PPARG P37231 6/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 6/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
GPR84 Q9NQS5 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45

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
SCHEMBL27699570 1.00 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL30513275 0.87 TSHR (0.53) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL9305133 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL31261502 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL30186702 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL9739970 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL8945838 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL7157837 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL8423003 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL8590568 0.84 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1

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
CN-101163556-A Surface treatment BASF AG (DE) 2008-04-16 CN disclosed