SCHEMBL7959967

SCHEMBL7959967

COc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCC(C)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.39
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.30
GRIN2B Q13224 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
SCHEMBL7960049 0.92 LPAR1 (0.33) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL8905958 0.90 LPAR1 (0.35) LPAR1GAA
SCHEMBL7949850 0.88 LPAR1 (0.41) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7958045 0.87 LPAR1 (0.42) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7964477 0.86 LPAR1 (0.37) LPAR1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8795394 0.85 SMN1; SMN2 (0.34) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7964389 0.85 LPAR1 (0.35) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7961943 0.84 LPAR1 (0.34) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL8906207 0.84 P2RX7 (0.32) LPAR1GAAKDM4E
SCHEMBL7961794 0.83 LPAR1 (0.41) LPAR1

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