SCHEMBL7964520

SCHEMBL7964520

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2OC)CCC(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.33
LPAR1 Q92633 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX7 Q99572 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
SCHEMBL8906013 0.92 P2RX7 (0.34) S1PR5MEN1KMT2AMAPTLMNA
SCHEMBL7960146 0.92 S1PR5 (0.35) S1PR5LPAR1MEN1KMT2AMAPT
SCHEMBL7949977 0.88 GAA (0.37) LPAR1MEN1KMT2AMAPTLMNA
SCHEMBL8796360 0.87 MEN1 (0.35) S1PR5LPAR1MEN1KMT2AMAPT
SCHEMBL7960880 0.87 LPAR1 (0.34) LPAR1MEN1KMT2AMAPTLMNA
SCHEMBL7964600 0.86 LPAR1 (0.33) LPAR1MEN1KMT2ALMNANPC1
SCHEMBL7957823 0.86 ALDH1A1 (0.35) S1PR5MEN1KMT2AMAPTLMNA
SCHEMBL7961784 0.86 MAPT (0.36) LPAR1MAPT
SCHEMBL7960018 0.85 LPAR1 (0.37) LPAR1LMNANPC1RAB9A
SCHEMBL7960902 0.85 MAPT (0.38) LPAR1MAPTNPC1RAB9A

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-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