SCHEMBL3671462

SCHEMBL3671462

CC(OC(Cl)c1ccccc1)C(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.39
APAF1 O14727 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2828624 0.98 KMT2A (0.44) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL809270 0.96 KMT2A (0.43) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL187761 0.79 KMT2A (0.47) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL6898472 0.79 HCAR2 (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL3774968 0.75 TSHR (0.55) CYP1A2CYP2D6SRCLMNA
SCHEMBL7417686 0.73 GSR (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL28797863 0.73 KMT2A (0.46) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL11378188 0.71 PDK2 (0.42) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL1408551 0.71 ALDH1A1 (0.55) KMT2ACYP2D6SRCHCAR2LMNA
SCHEMBL4483187 0.70 KMT2A (0.44) KMT2ACYP1A2GAACYP2D6HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4476486-B2 2010-06-09 JP claimed
JP-2002520305-A 2002-07-09 JP claimed
EP-1095009-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID Bracco Imaging S.p.A. (IT) 2001-05-02 EP claimed
WO-2000002847-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO S.P.A. (IT) 2000-01-20 WO claimed
EP-1095009-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID Bracco Imaging S.p.A. (IT) 2001-05-02 EP disclosed
WO-2000002847-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO S.P.A. (IT) 2000-01-20 WO disclosed