SCHEMBL8815415

SCHEMBL8815415

CCCCCCCCCCCCCCCC(=O)C(O)(CSP)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.53
CES1 P23141 8/20 0.53
CES2 O00748 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 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
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 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
SCHEMBL5133979 0.90 FAAH (0.61) FAAHCES1MEN1KMT2AHSD17B10
SCHEMBL4595263 0.82 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL3990765 0.82 FAAH (0.55) FAAHCES1CES2MEN1KMT2A
SCHEMBL3787603 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL9435633 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL3777162 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL3777756 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL3415485 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL3778978 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL28986780 0.78 FAAH (0.55) 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
WO-1997044655-A1 METHOD AND APPARATUS FOR SENSOR AND SEPARATION IN MONOLAYER UNIVERSITY OF MARYLAND (US) 1997-11-27 WO disclosed