SCHEMBL15211522

SCHEMBL15211522

CC(=O)Oc1csc2c(C)c(OCc3ccc(C)nc3C)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.33
PTPN1 P18031 1/20 0.33
ADK P55263 1/20 0.32
DUSP3 P51452 3/20 0.32
PTPN5 P54829 3/20 0.32
PTPN11 Q06124 3/20 0.32
CTDSP1 Q9GZU7 3/20 0.32
POLB P06746 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CASP6 P55212 1/20 0.32
NOD2 Q9HC29 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.32
GBA1 P04062 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL15211544 0.84 PTPN1 (0.32) PTPN1ADKKDM4EALDH1A1HPGD
SCHEMBL15211523 0.83 MBOAT4 (0.40) MBOAT4DUSP3PTPN5PTPN11CTDSP1
SCHEMBL17444886 0.81 KDM4E (0.37) MBOAT4POLBKDM4EALDH1A1HPGD
SCHEMBL17431285 0.80 MBOAT4 (0.33) MBOAT4DUSP3PTPN5PTPN11CTDSP1
SCHEMBL15211405 0.80 PPARD (0.40) ALDH1A1HSD17B10ADORA2AMEN1KMT2A
SCHEMBL15211559 0.80 ALDH1A1 (0.45) DUSP3PTPN5PTPN11CTDSP1POLB
SCHEMBL15211810 0.79 KDM4E (0.38) DUSP3PTPN5PTPN11CTDSP1POLB
SCHEMBL15211275 0.74 PPARD (0.39) ADKPOLBKDM4EALDH1A1HSD17B10
SCHEMBL15211634 0.74 PPARD (0.36) ADKKDM4EALDH1A1HSD17B10TP53
SCHEMBL15211224 0.73 KDM4E (0.38) DUSP3PTPN5PTPN11CTDSP1POLB

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
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed