SCHEMBL9753258

SCHEMBL9753258

CC(C)(C)OC(=O)[C@](N)(CCCSc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
PPARA Q07869 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ANPEP P15144 1/20 0.38
BACE1 P56817 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSB P07858 2/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL9753262 1.00 CNR2 (0.43) CNR2PPARAHDAC3HDAC4HDAC1
SCHEMBL8298610 0.79 SLC13A5 (0.51) PPARAHDAC1HDAC8CTSBCTSS
SCHEMBL27515011 0.76 CTSB (0.47) PPARACYP3A4CTSBCTSSCTSK
SCHEMBL8315125 0.74 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9752899 0.73 CNR2 (0.42) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9296370 0.73 GRM2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9752897 0.73 CTSK (0.47) CNR2PPARAHDAC3HDAC4HDAC1
SCHEMBL7371703 0.72 L3MBTL1 (0.51) PPARACTSS
SCHEMBL9544129 0.71 SMN1; SMN2 (0.49) PPARACTSBCTSSCTSKMAPT
SCHEMBL9543962 0.71 SMN1; SMN2 (0.49) PPARACTSBCTSSCTSKMAPT

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-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed