SCHEMBL11609043

SCHEMBL11609043

O=C(NC1(O)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
APAF1 O14727 1/20 0.55
TDP2 O95551 1/20 0.55
NSD2 O96028 1/20 0.55
ABL1 P00519 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
CASP3 P42574 1/20 0.55
GALK1 P51570 1/20 0.55
BLM P54132 1/20 0.55
PPP1CA P62136 1/20 0.55
RIN1 Q13671 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL11728170 0.90 ADRB2 (0.54) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL5608105 0.79 FAAH (0.57) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL12987195 0.78 FAAH (0.51) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL1740329 0.78 CTSL (0.53) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL28793250 0.76 CXCR3 (0.51) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL13804119 0.75 CTSL (0.52) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL9698835 0.75 ADRB2 (0.54) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL10604536 0.75 CTSL (0.49) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL29120775 0.75 LMNA (0.53) FAAHKMT2AALDH1A1MEN1HTT
SCHEMBL17133523 0.74 FAAH (0.53) FAAHKMT2AALDH1A1MEN1HTT

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
US-4076840-A TREATMENT OF ALCOHOLISM ASTRA LAKEMEDEL AKTIEBOLAG (SW) 1978-02-28 US disclosed