SCHEMBL5807702

SCHEMBL5807702

CCc1[nH]c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
MAPK14 Q16539 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
SCHEMBL11364006 0.92 ALDH1A1 (0.45) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL5823974 0.86 HMGCR (0.46) GAAKDM4EMAPTTP53
SCHEMBL28662576 0.80 MAPT (0.44) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL4163228 0.78 PTGS2 (0.40) DHODHPTGS2ALDH1A1KDM4EMAPT
SCHEMBL2644649 0.77 MAPK14 (0.58) MAPK14
SCHEMBL23146756 0.76 GRIA2 (0.40) DHODHALDH1A1GAAMAPT
SCHEMBL20568219 0.76 DHODH (0.43) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL29722929 0.75 SMN1; SMN2 (0.61) PTGS2ALDH1A1GAAMAPT
SCHEMBL2662802 0.74 MAPK14 (0.55) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL23348207 0.74 GCGR (0.46) ALDH1A1HPGDKDM4EMAPTMAPK14

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-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed