SCHEMBL6238431

SCHEMBL6238431

CC(=O)Oc1ccc(OCc2c(F)cccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.48
ALKBH1 Q13686 1/20 0.48
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6245449 0.90 MAOB (0.54) POLBALDH1A1ALKBH1MAOBMAOA
SCHEMBL15380599 0.82 SMN1; SMN2 (0.56) HPGDSMN1; SMN2NPSR1POLBALDH1A1
SCHEMBL10395976 0.81 NR1H4 (0.56) HPGDSMN1; SMN2NPSR1POLBALDH1A1
SCHEMBL12584868 0.81 SMN1; SMN2 (0.58) HPGDSMN1; SMN2NPSR1POLBALDH1A1
SCHEMBL6238428 0.80 HPGD (0.55) HPGDSMN1; SMN2NPSR1POLBKDM4E
SCHEMBL13034152 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1TDP1
SCHEMBL13236911 0.78 SMN1; SMN2 (0.53) HPGDSMN1; SMN2NPSR1POLBALDH1A1
SCHEMBL18600808 0.78 MAOB (0.55) HPGDSMN1; SMN2NPSR1ALDH1A1TP53
SCHEMBL6748837 0.78 SMN1; SMN2 (0.55) HPGDSMN1; SMN2NPSR1POLBALDH1A1
SCHEMBL29435095 0.77 ITGA4 (0.53) HPGDSMN1; SMN2NPSR1POLBKDM4E

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed