SCHEMBL9362128

SCHEMBL9362128

[NH]C(=O)CCCCCCC(F)(F)Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.33
CES1 P23141 5/20 0.33
CES2 O00748 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9362065 0.98 FAAH (0.31) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6015999 0.82 FAAH (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1766732 0.79 FAAH (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4740198 0.75 TSHR (0.47) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL1028076 0.72 OXER1 (0.30) FAAH
SCHEMBL23456711 0.70 LMNA (0.48) MEN1CYP1A2KMT2AHSD17B10
SCHEMBL10667761 0.69 FAAH (0.39) FAAHCES1CES2
SCHEMBL7765709 0.69
SCHEMBL7771403 0.69 FAAH (0.39) FAAHCES1CES2
SCHEMBL10665172 0.69 LMNA (0.36) FAAHCES1CES2MEN1CYP1A2

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-0413666-B1 Butyric acid derivatives CIBA GEIGY AG (CH) 1994-04-13 EP claimed