SCHEMBL7960037

SCHEMBL7960037

COc1cc(C)cc(C)c1CC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SHMT1 P34896 3/20 0.39
SHMT2 P34897 1/20 0.39
LPAR1 Q92633 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL7960936 0.89 LMNA (0.40) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL7959947 0.84 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL7958365 0.83 SMN1; SMN2 (0.37) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL6997712 0.81 LPAR1 (0.40) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL7960861 0.81 SHMT1 (0.45) SMN1; SMN2LMNAL3MBTL1SHMT1SHMT2
SCHEMBL510321 0.79 KDM4E (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL7957892 0.78 LMNA (0.36) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL6994763 0.78 LMNA (0.37) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL6921814 0.77 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6990345 0.77 SHMT2 (0.44) SMN1; SMN2LMNASHMT2LPAR1ALDH1A1

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