SCHEMBL8744763

SCHEMBL8744763

CCOC(=O)[C@H](C)N(C(=O)Cc1c(C)cc(C)cc1C)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ABCC1 P33527 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9844162 0.87 CNR2 (0.38) CNR2CNR1ALDH1A1LMNAMAPT
SCHEMBL9369273 0.78 NLRP3 (0.37) RORCALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL9368867 0.77 HPGD (0.40) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9321131 0.76 CA12 (0.40) CNR2ABCC1CA12CA1CA2
SCHEMBL9371953 0.76 NLRP3 (0.35) RORCALDH1A1LMNATDP1MAPT
SCHEMBL8985655 0.74 CHRNB2 (0.47) ALDH1A1LMNATDP1MAPTCHRNB2
SCHEMBL9368050 0.74 NLRP3 (0.34) RORCALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL8744754 0.74 NLRP3 (0.34) RORCCNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9368573 0.74 TDP1 (0.38) ALDH1A1TDP1SMN1; SMN2HPGDNPSR1
SCHEMBL9318604 0.73 EPHX2 (0.41) CNR2CNR1ALDH1A1LMNAMAPT

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
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed