SCHEMBL10909077

SCHEMBL10909077

CCCCCCCCCCCC(=O)NSCCCN

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.51
HSP90AA1 P07900 1/20 0.48
DNM1 Q05193 1/20 0.47
FAAH O00519 7/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
CNR2 P34972 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 1/20 0.41

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
SCHEMBL14166466 0.89 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL9860468 0.89 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL14166875 0.85 HSP90AA1 (0.50) HSP90AA1DNM1FAAHMEN1KMT2A
SCHEMBL19041099 0.85 HSP90AA1 (0.47) SLC6A5HSP90AA1DNM1FAAHMEN1
SCHEMBL18971143 0.84 SLC6A5 (0.61) SLC6A5FAAHMEN1KMT2ACNR2
SCHEMBL10909147 0.82 HSP90AA1 (0.52) HSP90AA1DNM1FAAHMEN1KMT2A
SCHEMBL10911251 0.81 GPR84 (0.55) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL10909670 0.78 HSP90AA1 (0.47) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10912801 0.78 DNM1 (0.58) HSP90AA1DNM1FAAHMEN1KMT2A
SCHEMBL28509051 0.77 CASP2 (0.45) 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
US-4618416-A COLLECTORS FOR METAL SULFIDE MINERALS; FROTH FLOATATION SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1986-10-21 US disclosed