SCHEMBL7217018

SCHEMBL7217018

CCOc1ccccc1COc1ccc2c(c1)C=C(C(=O)O)CCS2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
KDM4E B2RXH2 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
FFAR1 O14842 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC26A4 O43511 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL7215840 0.92 PPARD (0.37) PARP14PARP10KDM4EPTGDR2ALOX5
SCHEMBL7218231 0.92 MAPT (0.34) PARP14PARP10PTGDR2ALOX5LMNA
SCHEMBL7216335 0.91 PARP10 (0.45) PARP14PARP10MRGPRX4KDM4EL3MBTL1
SCHEMBL7218091 0.90 PARP10 (0.37) PARP14PARP10KDM4ETP53LMNA
SCHEMBL7216783 0.89 PPARD (0.35) PARP14PARP10KDM4EPTGDR2ALOX5
SCHEMBL7218103 0.85 NR4A2 (0.49) ALOX5SLC26A4GLANPC1NR4A2
SCHEMBL7222219 0.84 S1PR1 (0.41) MRGPRX4KDM4EALOX5TP53LMNA
SCHEMBL7216417 0.84 PPARD (0.42) ALOX5
SCHEMBL7223004 0.84 SMN1; SMN2 (0.43) MRGPRX4KDM4EALOX5TP53LMNA
SCHEMBL7221400 0.83 SMN1; SMN2 (0.48) MRGPRX4ALOX5TP53LMNATSHR

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