SCHEMBL8740577

SCHEMBL8740577

CCC(O)(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
RIPK1 Q13546 2/20 0.44
CTBP2 P56545 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
PPARA Q07869 4/20 0.39
HPGD P15428 3/20 0.39
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL5343038 0.84 BLM (0.56) CTBP2BLMALDH1A1LMNAHTT
SCHEMBL9724009 0.84 FDPS (0.46) KDM4ETDP1POLBAPEX1HPGD
SCHEMBL7908936 0.83 SMN1; SMN2 (0.52) KDM4ERIPK1PPARAPPARGALDH1A1
SCHEMBL687447 0.83 SMN1; SMN2 (0.52) KDM4ERIPK1PPARAPPARGALDH1A1
SCHEMBL7908766 0.83 SMN1; SMN2 (0.52) KDM4ERIPK1PPARAPPARGALDH1A1
SCHEMBL2241052 0.79 LDHA (0.49) KDM4ECTBP2FFAR1POLBALDH1A1
SCHEMBL4764876 0.78 HPGD (0.45) KDM4ERIPK1CTBP2TDP1FFAR1
SCHEMBL28417924 0.77 CTBP2 (0.43) KDM4ECTBP2FFAR1POLBHPGD
SCHEMBL5160750 0.77 CYP2C19 (0.48) TDP1POLBALDH1A1
SCHEMBL10029122 0.77 ALDH1A1 (0.41) KDM4ECTBP2TDP1FFAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748220-A4 METHODS AND COMPOSITIONS FOR TREATING ANDROGEN-DEPENDENT DISEASES USING OPTICALLY PURE R-(-)-CASODEX SEPRACOR INC (US) 1997-09-10 EP disclosed
EP-0748220-A1 METHODS AND COMPOSITIONS FOR TREATING ANDROGEN-DEPENDENT DISEASES USING OPTICALLY PURE R-(-)-CASODEX SEPRACOR, INC. (US) 1996-12-18 EP disclosed
WO-1995019770-A1 METHODS AND COMPOSITIONS FOR TREATING ANDROGEN-DEPENDENT DISEASES USING OPTICALLY PURE R-(-)-CASODEX SEPRACOR, INC. (US) 1995-07-27 WO disclosed