SCHEMBL8701833

SCHEMBL8701833

CCC(CC)(NC(=O)C(C)c1ccc(C)cc1OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.46
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL7957895 0.90 LPAR1 (0.46) LPAR1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL7960040 0.84 LPAR1 (0.48) LPAR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL7958367 0.82 LPAR1 (0.43) LPAR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL7964513 0.82 LPAR1 (0.43) LPAR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL7950150 0.81 AKR1C3 (0.40) HTT
SCHEMBL7960940 0.79 LPAR1 (0.48) LPAR1RAB9ANPC1KMT2A
SCHEMBL7957914 0.78 TAS1R3 (0.44) LPAR1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL7959929 0.78 LPAR1 (0.43) LPAR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL7961934 0.76 LPAR1 (0.46) LPAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7960296 0.76 LPAR1 (0.50) LPAR1KDM4ERAB9ANPC1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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