SCHEMBL7959947

SCHEMBL7959947

CCC(CC)(NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.34
PKM P14618 2/20 0.34
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
PPARA Q07869 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CISD1 Q9NZ45 1/20 0.33

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
SCHEMBL7957892 0.90 LMNA (0.36) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL7960037 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL7950147 0.82 KMT2A (0.39) SMN1; SMN2LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL7958365 0.81 SMN1; SMN2 (0.37) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL6997712 0.79 LPAR1 (0.40) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL9593911 0.79 HPGD (0.36) SMN1; SMN2LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL7960936 0.78 LMNA (0.40) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL510321 0.77 KDM4E (0.47) SMN1; SMN2ALDH1A1KMT2APKMTSHR
SCHEMBL6994763 0.76 LMNA (0.37) SMN1; SMN2LMNAL3MBTL1LPAR1ALDH1A1
SCHEMBL6921814 0.75 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1KMT2APKM

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