SCHEMBL10274701

SCHEMBL10274701

BCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
SRD5A2 P31213 1/20 0.54
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.52
ACHE P22303 1/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
P2RX1 P51575 1/20 0.51
HPGD P15428 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.49
KCNK3 O14649 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL30758861 0.85 CES2 (0.69) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL1712437 0.84 CES2 (0.67) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2073691 0.84 ACHE (0.72) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2379125 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL716488 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL31016229 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL29742875 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL311526 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL40175 0.82 CES2 (0.65) CES2SRD5A2CTNNB1WNT3APOLB
SCHEMBL2096484 0.82 CES2 (0.70) CES2SRD5A2CTNNB1WNT3APOLB

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-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed