SCHEMBL8199716

SCHEMBL8199716

CNC(=O)C(C)(CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KCNN4 O15554 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL14926310 0.85 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21119499 0.84 CYP2C19 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21119500 0.84 CYP2C19 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14678141 0.82 CYP1A2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21119498 0.81 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6758034 0.80 CYP2C19 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28784720 0.78 KCNN4 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1024478 0.77 MAPT (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13270940 0.76 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4373828 0.76 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040189-A1 POLYPEPTIDES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999033976-A1 POLYPEPTIDE, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 WO disclosed