SCHEMBL13680239

SCHEMBL13680239

C#C[C@H](CCc1ccccc1)OPP

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
BLM P54132 1/20 0.35
POLB P06746 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ERAP2 Q6P179 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7267577 0.80 BLM (0.39) ACP3BLMPOLBANPEPERAP1
SCHEMBL2493373 0.71 POLB (0.36) POLBKDM4EMEN1KMT2A
SCHEMBL817744 0.71 MMP12 (0.49) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL12808706 0.71 MMP12 (0.49) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL16490605 0.70 ALDH1A1 (0.45) ACP3BLMANPEPERAP1IDO1
SCHEMBL9793858 0.69 BLM (0.35) BLMPOLBKDM4EMEN1KMT2A
SCHEMBL7547751 0.69 BLM (0.35) BLMPOLBKDM4EMEN1KMT2A
SCHEMBL13680246 0.68 ANPEP (0.35) ACP3POLBANPEPERAP1ERAP2
SCHEMBL10348476 0.67 ANPEP (0.47) ANPEPERAP1ERAP2SLC6A4SLC6A2
SCHEMBL817464 0.67 ANPEP (0.43) ACP3ANPEPERAP1ERAP2SLC6A4

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
US-7582779-B2 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2009-09-01 US disclosed