SCHEMBL15949031

SCHEMBL15949031

N#CC(C(=O)O)C(c1ccc(Br)cc1)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ALPG P10696 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 1/20 0.32
PPARG P37231 2/20 0.31

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
SCHEMBL365798 0.83 GAA (0.37) DPP4CES2CES1LMNASMN1; SMN2
SCHEMBL362884 0.73 MAPK1 (0.37) LMNASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL15949147 0.73 SMN1; SMN2 (0.38) LMNASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL28783966 0.73 KMT2A (0.49) LMNASMN1; SMN2HTTTDP1CTSK
SCHEMBL15949011 0.73 ACP3 (0.41) LMNASMN1; SMN2ALDH1A1CTSKPPARG
SCHEMBL362997 0.72 DPP4 (0.41) DPP4CES2CES1IDO1TDO2
SCHEMBL11031813 0.72 LMNA (0.56) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL4493580 0.70 DPP4 (0.44) DPP4CES2CES1LMNASMN1; SMN2
SCHEMBL5709450 0.69 PPARG (0.42) CES2CES1PPARG
SCHEMBL20876025 0.67 LMNA (0.49) LMNASMN1; SMN2ALDH1A1ALPGHPGD

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed