SCHEMBL29951884

SCHEMBL29951884

CC(=O)c1cccc(NC(=O)CCCC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.76
MEN1 O00255 5/20 0.76
PARP1 P09874 1/20 0.66
PARP10 Q53GL7 1/20 0.66
RAB9A P51151 3/20 0.63
ALDH1A1 P00352 5/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL29951290 0.97 KMT2A (0.71) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL5974722 0.94 PARP1 (0.73) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL13480137 0.91 SMN1; SMN2 (0.67) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL11989152 0.89 KMT2A (0.71) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL11989153 0.89 KMT2A (0.71) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL6150732 0.88 PARP1 (0.74) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL21665206 0.87 MEN1 (0.84) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL2645244 0.85 KMT2A (0.66) KMT2AMEN1PARP1PARP10RAB9A
SCHEMBL14253775 0.84 KMT2A (0.65) KMT2AMEN1RAB9AALDH1A1HTT
SCHEMBL29954000 0.84 KMT2A (0.65) KMT2AMEN1RAB9AALDH1A1HTT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed