SCHEMBL431068

SCHEMBL431068

O=C(Br)CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TOP1 P11387 1/20 0.36
USP2 O75604 1/20 0.35
CFTR P13569 1/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALPG P10696 1/20 0.32
ALOX12 P18054 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL431983 0.86 NPSR1 (0.50) HSP90AA1NPSR1TOP1USP2MAPT
SCHEMBL11072301 0.84 NPSR1 (0.49) HSP90AA1NPSR1TOP1USP2MAPT
Bromide SCHEMBL431069 0.84 NPSR1 (0.49) HSP90AA1NPSR1TOP1USP2MAPT
SCHEMBL11072297 0.81 HDAC3 (0.50) HSP90AA1NPSR1CFTRCA2CA4
Potassium Ion SCHEMBL5386445 0.81 HDAC3 (0.46) HSP90AA1CFTRHDAC3HDAC4HDAC1
SCHEMBL13587656 0.81 NPSR1 (0.53) NPSR1TOP1USP2MAPTL3MBTL1
SCHEMBL9310464 0.79 NPSR1 (0.56) NPSR1TOP1USP2MAPTL3MBTL1
SCHEMBL10666125 0.79 POLB (0.49) USP2MAPTALDH1A1LMNAPKM
SCHEMBL5222945 0.78 HSP90AA1 (0.42) HSP90AA1USP2CFTRMAPTALDH1A1
SCHEMBL4139139 0.78 NPSR1 (0.44) HSP90AA1NPSR1TOP1USP2CFTR

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-2012011128-A1 PREPARATION OF PROSTAGLANDIN DERIVATIVES APTUIT LAURUS PRIVATE LIMITED (IN) 2012-01-26 WO disclosed