SCHEMBL28181789

SCHEMBL28181789

CCCCCCCCCCCCCCC(OCC)(OCC)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
CES2 O00748 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FDPS P14324 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 6/20 0.38
CES1 P23141 4/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28424850 1.00 SMPD1 (0.41) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL28057025 1.00 SMPD1 (0.41) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL28256972 1.00 SMPD1 (0.41) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL28006927 0.92 FDPS (0.36) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL28069410 0.90 FAAH (0.53) MEN1KMT2AMAPTATMFAAH
SCHEMBL28069396 0.90 FAAH (0.53) MEN1KMT2AMAPTATMFAAH
SCHEMBL28415113 0.86 KDM4E (0.56) MEN1KMT2AMAPTFAAHCYP1A2
SCHEMBL22551083 0.85 CES2 (0.40) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL10944414 0.84 MEN1 (0.40) SMPD1CES2MEN1KMT2AFDPS
SCHEMBL10943438 0.84 MEN1 (0.40) SMPD1CES2MEN1KMT2AFDPS

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-105274543-B A kind of alkaline Wax removal water 惠州英乐威表面处理科技有限公司 2017-11-07 CN disclosed