SCHEMBL8795394

SCHEMBL8795394

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
LPAR1 Q92633 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8796484 0.88 GAA (0.39) SMN1; SMN2LPAR1ALDH1A1KMT2AMEN1
SCHEMBL8796439 0.86 NPC1 (0.34) SMN1; SMN2LPAR1ALDH1A1KMT2AMEN1
SCHEMBL8796388 0.85 HPGD (0.35) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL7960049 0.85 LPAR1 (0.33) SMN1; SMN2LPAR1ALDH1A1KMT2AMEN1
SCHEMBL7959967 0.85 LPAR1 (0.39) SMN1; SMN2LPAR1ALDH1A1KMT2AMEN1
SCHEMBL8796214 0.84 LPAR1 (0.35) SMN1; SMN2LPAR1ALDH1A1KMT2AMEN1
SCHEMBL8796943 0.83 LPAR1 (0.38) SMN1; SMN2LPAR1ALDH1A1NPC1RAB9A
SCHEMBL8796360 0.83 MEN1 (0.35) LPAR1KMT2AMEN1HTTNPC1
SCHEMBL8796492 0.78 NPC1 (0.37) LPAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL7949850 0.77 LPAR1 (0.41) LPAR1ALDH1A1KMT2AMEN1NPC1

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
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP claimed
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed