SCHEMBL40546

SCHEMBL40546

COC(=O)c1cccc(CC#CCO)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.63
CYP4A11 Q02928 3/20 0.63
LOXL2 Q9Y4K0 1/20 0.60
SLC7A5 Q01650 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.47
FOLH1 Q04609 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
ABHD6 Q9BV23 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4672371 0.86 LOXL2 (0.62) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL7276383 0.83 LOXL2 (0.66) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL3932722 0.82 LOXL2 (0.57) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL31044528 0.82 LOXL2 (0.57) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL29539688 0.81 LOXL2 (0.64) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL21936783 0.81 LOXL2 (0.64) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL40562 0.81 LOXL2 (0.64) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL3816589 0.81 LOXL2 (0.56) CYP4F2CYP4A11LOXL2ALDH1A1SMN1; SMN2
SCHEMBL40066 0.81 FOLH1 (0.56) MRGPRX4SMN1; SMN2RAB9AHIF1AFOLH1
SCHEMBL31276630 0.80 CYP4F2 (0.75) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4

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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed