SCHEMBL23723912

SCHEMBL23723912

[CH2]CNC(=O)Cc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
PTPRZ1 P23471 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL9645345 0.84 CA2 (0.52) ALDH1A1HPGDLMNARAB9ANPC1
SCHEMBL743447 0.83 MEN1 (0.42) ALDH1A1HPGDLMNARAB9AKMT2A
SCHEMBL425873 0.82 HDAC8 (0.61) ALDH1A1HPGDLMNARAB9AL3MBTL1
SCHEMBL31344791 0.80 HPGD (0.50) ALDH1A1HPGDLMNARAB9AL3MBTL1
SCHEMBL10963044 0.78 HTT (0.69) ALDH1A1LMNARAB9AKMT2AMEN1
SCHEMBL19579516 0.76 EPHX2 (0.56) RAB9ANPC1GAAHDAC8HDAC6
SCHEMBL333393 0.75 LMNA (0.49) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL98393 0.72 HTT (0.43) ALDH1A1HPGDLMNARAB9AL3MBTL1
SCHEMBL6743019 0.72 TRPV1 (0.67) HPGDRAB9A
Formaldehyde SCHEMBL8673672 0.69 TSHR (0.56) HPGDKDM4EHDAC8HDAC2

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
EP-4100070-A1 ANTIMICROBIAL MATRIX AND USES THEREOF FOR ELIMINATING MICROORGANISMS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2022-12-14 EP claimed
WO-2021156877-A1 ANTIMICROBIAL MATRIX AND USES THEREOF FOR ELIMINATING MICROORGANISMS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-12 WO claimed