SCHEMBL22338581

SCHEMBL22338581

COC(=O)CCc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL7315510 0.84 KDM1A (0.67) KDM1ARCOR1MAPK1NPSR1HTT
SCHEMBL11925397 0.83 KDM1A (0.64) KDM1ARCOR1MAPK1NPSR1HTT
SCHEMBL7624965 0.82 KDM1A (0.67) KDM1ARCOR1MAPK1MAPTNPSR1
SCHEMBL12059018 0.82 MAPT (0.71) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7758912 0.80 KDM1A (0.64) KDM1ARCOR1MAPK1MAPTNPSR1
SCHEMBL17570861 0.79 HTT (0.53) MAPK1MAPTNPSR1NPBWR1MCHR1
SCHEMBL7396304 0.79 FFAR1 (0.49) MAPK1MAPTALDH1A1KDM4ELMNA
SCHEMBL11432703 0.79 ALDH1A1 (0.56) KDM1ARCOR1MAPK1MAPTNPSR1
SCHEMBL11437278 0.79 ALDH1A1 (0.56) KDM1ARCOR1MAPK1MAPTNPSR1
SCHEMBL3070644 0.78 POLB (0.56) KDM1ARCOR1MAPTSMN1; SMN2RAB9A

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-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed