SCHEMBL6920635

SCHEMBL6920635

CC(CCCOc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HPGD P15428 1/20 0.54
KCNA3 P22001 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LTB4R Q15722 3/20 0.50
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
ALOX5 P09917 1/20 0.50
PARP10 Q53GL7 1/20 0.50
RECQL P46063 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PKM P14618 1/20 0.49
PPARD Q03181 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL11652148 0.95 LTB4R (0.56) TDP1HPGDKCNA3L3MBTL1LTB4R
SCHEMBL1716121 0.91 MAPK1 (0.53) TDP1HPGDKCNA3L3MBTL1PPARG
SCHEMBL5523873 0.83 TDP1 (0.70) TDP1HPGDKCNA3L3MBTL1PPARG
SCHEMBL1803119 0.82 RAB9A (0.55) L3MBTL1PPARGPPARAALOX5RAB9A
SCHEMBL1801997 0.80 LTB4R (0.57) TDP1HPGDL3MBTL1LTB4RMTNR1A
SCHEMBL5133482 0.80 TDP1 (0.57) TDP1HPGDKCNA3L3MBTL1PPARG
SCHEMBL15866588 0.79 LMNA (0.62) PPARGPPARAMTNR1AMTNR1BLMNA
SCHEMBL787266 0.79 LMNA (0.62) PPARGPPARAMTNR1AMTNR1BLMNA
SCHEMBL31032939 0.79 LMNA (0.62) PPARGPPARAMTNR1AMTNR1BLMNA
SCHEMBL7449489 0.79 KCNA3 (0.62) TDP1HPGDKCNA3RECQLMAPK1

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
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed