SCHEMBL15211544

SCHEMBL15211544

CC(=O)Oc1csc2c(C)c(OCc3ncc(C)nc3C)ccc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
ADK P55263 1/20 0.32
GBA1 P04062 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15211522 0.84 MBOAT4 (0.33) PTPN1ADKGBA1KDM4ENPC1
SCHEMBL15211371 0.82 PPARD (0.37) KDM4EALDH1A1MAPTHPGD
SCHEMBL17431367 0.81
SCHEMBL15220498 0.81 KDM4E (0.36) KDM4ENPC1ALDH1A1GLAMAPT
SCHEMBL15211482 0.80 PPARD (0.38) KDM4ENPC1ALDH1A1GLAMAPT
SCHEMBL15211559 0.72 ALDH1A1 (0.45) ALDH1A1
SCHEMBL15211406 0.70 PIM1 (0.40) ADKGBA1KDM4EALDH1A1MAPT
SCHEMBL15211705 0.69 MAPT (0.38) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL15211523 0.67 MBOAT4 (0.40) KDM4EALDH1A1MAPT
SCHEMBL17444886 0.65 KDM4E (0.37) KDM4ENPC1ALDH1A1GLAMAPT

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-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