SCHEMBL8874342

SCHEMBL8874342

CCC(C)(NC(=O)Cc1c(C)cc(C)cc1C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NLRP3 Q96P20 1/20 0.33
P2RX7 Q99572 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
SCHEMBL8744736 0.89 LMNA (0.34) HPGDMAPTLMNAMEN1HTT
SCHEMBL9593911 0.84 HPGD (0.36) HPGDMAPTLMNAMEN1HTT
SCHEMBL8862914 0.82 HPGD (0.41) HPGDLMNAMEN1HTTKMT2A
SCHEMBL12137076 0.81 L3MBTL1 (0.32) HPGDMAPTLMNAMEN1HTT
SCHEMBL1359687 0.81 CNR2 (0.37) HPGDMAPTLMNAMEN1HTT
SCHEMBL6994763 0.80 LMNA (0.37) MAPTLMNAMEN1HTTKMT2A
SCHEMBL8744778 0.78 TAS1R3 (0.46) HPGDMAPTLMNAMEN1HTT
SCHEMBL6992106 0.78 KMT2A (0.36) HPGDMAPTLMNAMEN1HTT
SCHEMBL9001289 0.76 P2RX7 (0.38) HPGDMAPTLMNAMEN1HTT
SCHEMBL9001285 0.76 P2RX7 (0.38) HPGDMAPTLMNAMEN1HTT

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
US-5672718-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-5508436-A INTERMEDIATES FOR PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US 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