SCHEMBL31001015

SCHEMBL31001015

COc1ccc(C2(C(=O)O)CCCC(=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
TET3 O43151 1/20 0.52
FBXL19 Q6PCT2 1/20 0.52
CXXC5 Q7LFL8 1/20 0.52
TET1 Q8NFU7 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
CXXC4 Q9H2H0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
AKR1C1 Q04828 1/20 0.46
KCNA3 P22001 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 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
SCHEMBL11096445 0.94 KMT2A (0.57) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL503291 0.86 KMT2A (0.65) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3443266 0.86 KMT2A (0.61) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL21874269 0.85 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL503877 0.85 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL301027 0.83 KMT2A (0.64) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL8179850 0.82 F10 (0.47) KMT2ATET3FBXL19CXXC5TET1
Formic Acid SCHEMBL27562726 0.81 KMT2A (0.59) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL16287573 0.81 KCNA3 (0.48) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL19438755 0.80 KMT2A (0.54) KMT2ATET3FBXL19CXXC5TET1

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
EP-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed