SCHEMBL4356930

SCHEMBL4356930

CC(C)(C)OC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)NC5CC5)cc4)ccc3O2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.50
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
USP30 Q70CQ3 3/20 0.45
GPR119 Q8TDV5 7/20 0.43
RIPK2 O43353 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL4353589 0.91 PTPN2 (0.48) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4533099 0.89 GPR119 (0.47) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4347832 0.89 GPR119 (0.56) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4356877 0.89 ALDH1A1 (0.45)
SCHEMBL4529951 0.88 GPR119 (0.46) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4536702 0.88 GPR119 (0.49) PTPN2PTPN1PTPN6USP30GPR119
SCHEMBL4532545 0.88 GPR119 (0.46) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4353381 0.88 GPR119 (0.54) PTPN2PTPN1PTPN6GPR119
SCHEMBL13586062 0.87 PTPN2 (0.44) HDAC4PTPN2PTPN1PTPN6GPR119
SCHEMBL4533472 0.86 KMT2A (0.44) KMT2A

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed