SCHEMBL14075729

SCHEMBL14075729

CNc1ccc(C(=O)NCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 2/20 0.60
MMP13 P45452 1/20 0.57
POLB P06746 5/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44

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
SCHEMBL21360560 0.88 HDAC3 (0.50) HDAC3HDAC1HDAC2MMP13POLB
SCHEMBL620074 0.86 POLB (0.66) MMP13POLBHPGDHTTCA12
SCHEMBL25667930 0.85 HDAC1 (0.60) HDAC3HDAC1HDAC2POLBALDH1A1
SCHEMBL6975868 0.85 HDAC3 (0.60) HDAC3HDAC1HDAC2POLBALDH1A1
SCHEMBL12893201 0.85 MMP13 (0.60) HDAC2MMP13POLBHPGDHTT
SCHEMBL8516959 0.82 HDAC3 (0.51) HDAC3HDAC1HDAC2MMP13POLB
SCHEMBL24420647 0.82 HPGD (0.64) HDAC3HDAC1HDAC2HPGDHTT
SCHEMBL14265188 0.82 HDAC3 (0.61) HDAC3HDAC1HDAC2POLBHTT
SCHEMBL13753745 0.81 HDAC3 (0.55) HDAC3HDAC1HDAC2POLBHPGD
SCHEMBL764574 0.81 MMP13 (0.81) HDAC1MMP13POLBHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
WO-2023049218-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
WO-2022099159-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-05-12 WO disclosed
US-7425222-B2 Process for improving the sun protection factor of cellulosic fibre material CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-16 US disclosed
US-7425222-B2 Process for improving the sun protection factor of cellulosic fibre material CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-16 US disclosed