SCHEMBL9617015

SCHEMBL9617015

CCCCCCCCCCCCCCCCCCN1CCN(CCCCCCCCCCCCCCCCCC)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
MGLL Q99685 3/20 0.47
FAAH O00519 2/20 0.47
ALOX5 P09917 2/20 0.46
S1PR1 P21453 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A1 P04798 2/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL31093244 1.00 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL31093212 1.00 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9769271 1.00 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9769185 1.00 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL4421172 0.98 GBA1 (0.44) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL8392265 0.96 GBA1 (0.45) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL17836960 0.91 ALOX5 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL4424409 0.91 MEN1 (0.45) GBA1MGLLALOX5S1PR1BCHE
SCHEMBL10848072 0.90 GBA1 (0.41) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL19817111 0.90 GBA1 (0.42) GBA1PTGS1PTGS2MGLLFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4008752-A None JP disclosed
JP-H048752-A ACRYLIC RESIN COMPOSITION SEKISUI CHEM CO LTD 1992-01-13 JP disclosed