SCHEMBL7754950

SCHEMBL7754950

CCC(CCOc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
PPARG P37231 4/20 0.50
PPARA Q07869 3/20 0.50
ALOX5 P09917 2/20 0.49
RECQL P46063 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PTGES O14684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KCNA3 P22001 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PPARD Q03181 1/20 0.45
FAAH O00519 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL7363754 0.89 PPARG (0.55) TDP1PPARGPPARAALOX5RECQL
SCHEMBL8981961 0.87 MAPT (0.49) PPARGPPARAALOX5MTNR1AMTNR1B
SCHEMBL7994992 0.85 LMNA (0.43) TDP1L3MBTL1MAPK1
SCHEMBL20610286 0.85 PPARA (0.57) PPARGPPARAL3MBTL1MAPK1RAB9A
SCHEMBL11584998 0.85 KDM4E (0.52) TDP1PPARGPPARAALOX5L3MBTL1
Hydrochloric Acid SCHEMBL8981997 0.85 MAPT (0.47) PPARGPPARAALOX5MTNR1AMTNR1B
SCHEMBL7862959 0.84 ALDH1A1 (0.52) TDP1PPARGPPARAALOX5RECQL
SCHEMBL15397982 0.84 KDM4E (0.58) MAPTALDH1A1
SCHEMBL19953426 0.83 ALDH1A1 (0.51) PPARGPPARAMAPK1MAPTALDH1A1
SCHEMBL19187794 0.83 TDP1 (0.51) TDP1PPARGPPARAALOX5RECQL

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-0847693-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 2001-02-14 EP claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed