SCHEMBL23799315

SCHEMBL23799315

CC(=O)CCNC(=O)COc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.76
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
GAA P10253 2/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL14221228 0.84 HDAC1 (0.70) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL19002729 0.80 RAB9A (0.69) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL25063717 0.80 HDAC1 (0.65) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL2054511 0.79 TSHR (0.53) HDAC1ALDH1A1HTT
SCHEMBL14032309 0.78 TSHR (0.66) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL17656853 0.78 HPGD (0.75) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL8234368 0.77 MAPT (0.59) HDAC1KMT2AMEN1ALDH1A1HPGD
SCHEMBL23182881 0.77 HDAC1 (0.61) HDAC1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14410496 0.77 MEN1 (0.58) HDAC1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL20999290 0.77 HDAC1 (0.60) HDAC1KMT2AMEN1ALDH1A1POLB

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
WO-2021178818-A2 THERAPEUTIC AGENTS AND CONJUGATES THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-09-10 WO disclosed