SCHEMBL8779702

SCHEMBL8779702

COCOc1c(C(C)(C)C)cc(C(=O)O)c(C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.33
PTPN1 P18031 1/20 0.33
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CLCN2 P51788 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
SCHEMBL6674565 0.77 RXRA (0.46) TDP1EGFR
SCHEMBL8903140 0.76 TNFRSF1A (0.40) TNFRSF1AGLRA3GLRBEGFRMRGPRX4
SCHEMBL29213714 0.75 GLRA3 (0.41) GLRA3GLRBTDP1POLBALDH1A1
SCHEMBL2787616 0.74 GLRA3 (0.37) TNFRSF1APTPN1GLRA3GLRBTDP1
SCHEMBL5008843 0.74 PTGDR2 (0.42) GLRA3GLRBALDH1A1TSHRKDM4E
SCHEMBL5000262 0.72 GLRA3 (0.52) TNFRSF1AGLRA3GLRBTDP1POLB
SCHEMBL30893094 0.72 GLRA3 (0.52) TNFRSF1AGLRA3GLRBTDP1POLB
SCHEMBL11657298 0.72 GLRA3 (0.39) TNFRSF1AGLRA3GLRBPOLBALDH1A1
SCHEMBL31335662 0.70 PTGDR2 (0.37) POLBRAB9AALDH1A1TSHRKDM4E
SCHEMBL31336065 0.70 PTGDR2 (0.37) POLBRAB9AALDH1A1TSHRKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed