SCHEMBL12893201

SCHEMBL12893201

CNC(=O)c1ccc(C(=O)NCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.60
POLB P06746 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PLK1 P53350 6/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL620074 0.89 POLB (0.66) MMP13POLBHPGDHTTHDAC6
SCHEMBL14075729 0.85 HDAC3 (0.60) MMP13POLBHPGDHTTHDAC2
SCHEMBL764574 0.84 MMP13 (0.81) MMP13POLBHPGDHTTHDAC6
SCHEMBL23146039 0.83 MMP13 (0.55) MMP13POLBHPGDHTTHDAC6
Hydrochloric Acid SCHEMBL29090069 0.82 MMP13 (0.78) MMP13POLBHPGDHTTHDAC6
SCHEMBL8414232 0.82 HDAC6 (0.53) POLBHPGDHTTHDAC2HDAC8
SCHEMBL13366944 0.82 MMP13 (0.54) MMP13POLBHPGDHTTHDAC2
SCHEMBL8142775 0.82 POLB (0.58) MMP13POLBHPGDHTTHDAC2
SCHEMBL23471096 0.82 POLB (0.58) MMP13POLBHPGDHTTHDAC2
SCHEMBL12414159 0.81 MMP13 (0.61) MMP13POLBHPGDHTTPLK1

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
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
US-7879953-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-01 US disclosed