SCHEMBL5533296

SCHEMBL5533296

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.55
CES1 P23141 8/20 0.55
CES2 O00748 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
TSHR P16473 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46

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
SCHEMBL540827 1.00 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL28875 0.98 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL2556207 0.98 FAAH (0.53) FAAHCES1CES2MEN1KMT2A
SCHEMBL28766942 0.90 FAAH (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL532713 0.89 FAAH (0.63) FAAHCES1MEN1KMT2AHSD17B10
SCHEMBL532715 0.89 FAAH (0.63) FAAHCES1MEN1KMT2AHSD17B10
SCHEMBL27899377 0.89 FAAH (0.48) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL6565479 0.88 FAAH (0.61) FAAHCES1MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL6565477 0.88 FAAH (0.61) FAAHCES1MEN1KMT2AHSD17B10
SCHEMBL28532297 0.87 FAAH (0.43) FAAHCES1CES2MEN1KMT2A

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
EP-1725298-B1 HAIR CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 2007-05-02 EP claimed