SCHEMBL29504644

SCHEMBL29504644

CCCCCCCCCCCCCCCC(=O)NONC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
FAAH O00519 6/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
DNM1 Q05193 1/20 0.53
CNR2 P34972 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
GPR84 Q9NQS5 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50

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
SCHEMBL28572887 1.00 HSP90AA1 (0.61) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL7163230 0.98 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Sulfuric Acid SCHEMBL7741584 0.92 HSP90AA1 (0.53) HSP90AA1FAAHMEN1KMT2AMAPK1
Sulfuric Acid SCHEMBL29116768 0.90 HSP90AA1 (0.52) HSP90AA1FAAHMEN1KMT2AMAPK1
Sulfuric Acid SCHEMBL29116767 0.89 HSP90AA1 (0.50) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL19812439 0.89 CNR2 (0.69) FAAHMEN1KMT2ACNR2TRPV1
SCHEMBL19812449 0.89 CNR2 (0.69) FAAHMEN1KMT2ACNR2TRPV1
SCHEMBL29539532 0.89 CNR2 (0.69) FAAHMEN1KMT2ACNR2TRPV1
SCHEMBL31017070 0.86 HSP90AA1 (0.61) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL4016383 0.84 HSP90AA1 (0.59) 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-110177816-B Copolymers and their use in detergent compositions 科莱恩国际有限公司 2022-04-26 CN disclosed