SCHEMBL28053014

SCHEMBL28053014

CCCCCC(CC)CC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC15A1 P46059 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 1/20 0.46
CETP P11597 3/20 0.46
CNR2 P34972 1/20 0.45
MBOAT4 Q96T53 1/20 0.44
LMNA P02545 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
SCHEMBL21650572 0.96 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL5075424 0.93 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL5075437 0.93 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL5076023 0.93 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL30458000 0.93 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL5076609 0.93 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL29053905 0.90 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL31259002 0.86 ALDH1A1 (0.52) PRSS1PRSS2PRSS3ALDH1A1MEN1
SCHEMBL18196803 0.84 ALDH1A1 (0.49) ALDH1A1MEN1HPGDKMT2ASLC15A1
SCHEMBL6369826 0.84 ALDH1A1 (0.49) ALDH1A1MEN1HPGDKMT2ASLC15A1

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
CN-103717571-B The tetracycline compound that 9-amino methyl replaces KBP BIOSCIENCES Co.,Ltd. (CN) 2016-01-13 CN disclosed