SCHEMBL23051155

SCHEMBL23051155

O=C(O)NCCCC(=O)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL23051110 0.83 HTT (0.47) ATML3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL23051111 0.83 HDAC3 (0.60) L3MBTL1ALDH1A1HTTRAB9ANPC1
SCHEMBL21249722 0.82 ALDH1A1 (0.50) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL23051157 0.82 HTT (0.46) ATML3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL23051139 0.82 MEN1 (0.43) ATML3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL14723177 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAPAX8MEN1
SCHEMBL3083874 0.80 ALDH1A1 (0.52) L3MBTL1MTNR1AMTNR1BALDH1A1RAB9A
SCHEMBL23051105 0.79 CACNA1G (0.41) L3MBTL1MTNR1AMTNR1BALDH1A1HTT
SCHEMBL24497081 0.78 POLB (0.41) MTNR1AMTNR1BALDH1A1RAB9ANPC1
SCHEMBL24497225 0.78 KDM4E (0.44) MTNR1AMTNR1BALDH1A1LMNAPAX8

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-2021041583-A1 COMPOUNDS TO IDENTIFY BETA-LACTAMASES, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO disclosed