SCHEMBL7218231

SCHEMBL7218231

CCOCCOc1ccccc1COc1ccc2c(c1)C=C(C(=O)O)CCS2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PPARD Q03181 1/20 0.34
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTK2B Q14289 1/20 0.32
FFAR1 O14842 6/20 0.32
HRH2 P25021 4/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL7216783 0.94 PPARD (0.35) MAPTLMNAPTGDR2PPARDPARP14
SCHEMBL7215840 0.92 PPARD (0.37) PTGDR2PPARDPARP14PARP10L3MBTL1
SCHEMBL7217018 0.92 PARP14 (0.36) MAPTLMNAPTGDR2PARP14PARP10
SCHEMBL7218226 0.91 PARP14 (0.34) MAPTLMNAPTGDR2PPARDPARP14
SCHEMBL7216335 0.87 PARP10 (0.45) MAPTPARP14PARP10L3MBTL1KMT2A
SCHEMBL7218151 0.85 PPARD (0.34) MAPTLMNAPPARDPARP14PARP10
SCHEMBL7221445 0.85 FFAR1 (0.39) ALOX5FFAR1POLB
SCHEMBL7216417 0.84 PPARD (0.42) PPARDALOX5KMT2A
SCHEMBL7218190 0.83 PPARD (0.43) MAPTPPARDL3MBTL1ALOX5KMT2A
SCHEMBL7218091 0.83 PARP10 (0.37) MAPTLMNAPARP14PARP10NPSR1

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
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed