SCHEMBL6994760

SCHEMBL6994760

COc1cc(C)c(C2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
PDE7A Q13946 2/20 0.32
TSHR P16473 1/20 0.31
FPR2 P25090 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6994973 0.87 PDE7A (0.42) ALDH1A1NPC1KMT2AHTTMEN1
SCHEMBL7619891 0.87 THRB (0.39) SMN1; SMN2MAPTTHRBALDH1A1DDB1
SCHEMBL7614135 0.79 THRB (0.36) THRBDDB1CRBNHTTPDE7A
SCHEMBL3077698 0.75 THRB (0.37) SMN1; SMN2MAPTTHRBALDH1A1KDM4E
SCHEMBL728681 0.75 ACACB (0.41) CRBN
SCHEMBL561086 0.74 OTUD7B (0.32)
SCHEMBL2759726 0.74 ADAM17 (0.32)
SCHEMBL8906325 0.74 THRB (0.43) SMN1; SMN2MAPTTHRBALDH1A1HPGD
SCHEMBL2434247 0.74 PDE7A (0.33) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL8645554 0.74 KMT2A (0.38) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed