SCHEMBL8306638

SCHEMBL8306638

CC(C)C[C@H](COc1ccc(CC2SC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.41
AAK1 Q2M2I8 6/20 0.41
GPR88 Q9GZN0 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ATM Q13315 1/20 0.36
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8306640 1.00 CTRB1 (0.41) CTRB1AAK1GPR88HDAC8HDAC3
SCHEMBL8306634 1.00 CTRB1 (0.41) CTRB1AAK1GPR88HDAC8HDAC3
SCHEMBL8405118 0.91 MTNR1A (0.38) GPR88HDAC8ITGB3ITGA2B
SCHEMBL8405115 0.91 MTNR1A (0.38) GPR88HDAC8ITGB3ITGA2B
SCHEMBL1130749 0.77 PPARG (0.47) MEN1KMT2A
SCHEMBL8309388 0.77 PPARG (0.44) MEN1KMT2A
SCHEMBL8857154 0.75 PPARG (0.43) MEN1KMT2A
SCHEMBL8304179 0.74 MCL1 (0.41) MEN1KMT2ANPSR1
SCHEMBL8668616 0.70 PPARG (0.34)
SCHEMBL5070271 0.69 AAK1 (0.55) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590793-B1 Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1999-10-13 EP disclosed
US-5436257-A Low toxicity SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0590793-A1 Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-04-06 EP disclosed