SCHEMBL4333426

SCHEMBL4333426

COC(=O)c1ccc2c(-c3ccccc3)cn(CCCCC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
SCN9A Q15858 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTGIR P43119 3/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL4330806 0.89 CAMK2D (0.45) ALDH1A1HPGDTDP1SCN9AMEN1
SCHEMBL4453609 0.87 F2RL3 (0.43) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL13577950 0.86 MAPK1 (0.45) ALDH1A1GAASMN1; SMN2SCN9AMEN1
SCHEMBL13577954 0.85 DRD2 (0.45) ALDH1A1HPGDTDP1SCN9AMEN1
SCHEMBL13577941 0.85 ASH1L (0.48) ALDH1A1HPGDTDP1SCN9AMEN1
SCHEMBL4326615 0.85 SCN9A (0.49) ALDH1A1KDM4EHPGDGAATDP1
Hydrochloric Acid SCHEMBL4326712 0.84 ASH1L (0.47) ALDH1A1HPGDTDP1SCN9AMEN1
SCHEMBL4324539 0.84 SCN9A (0.44) ALDH1A1HPGDTDP1SCN9AMEN1
SCHEMBL13577956 0.83 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4335986 0.81 NPC1 (0.47) HPGDSMN1; SMN2SCN9AMAPT

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-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed