SCHEMBL28045256

SCHEMBL28045256

CCCCCCCCCCC(C)Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
ACE2 Q9BYF1 1/20 0.46
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.40
PTPN11 Q06124 1/20 0.40
PLK1 P53350 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
SLC37A4 O43826 1/20 0.39
BID P55957 2/20 0.39
BCL2L1 Q07817 2/20 0.39

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
SCHEMBL6444607 0.89 ALDH1A1 (0.48) ALDH1A1ACE2KDM4EMEN1RECQL
SCHEMBL26597215 0.86 ALDH1A1 (0.48) ALDH1A1ACE2KDM4EPLK1BID
SCHEMBL26597243 0.86 ALDH1A1 (0.48) ALDH1A1ACE2KDM4EPLK1BID
SCHEMBL26597308 0.86 ALDH1A1 (0.48) ALDH1A1ACE2KDM4EPLK1BID
Phthalic Acid SCHEMBL81278 0.84 ALDH1A1 (0.68) ALDH1A1ACE2PRSS1PRSS2PRSS3
SCHEMBL15512121 0.84 ALDH1A1 (0.57) ALDH1A1ACE2PRSS1PRSS2PRSS3
SCHEMBL26597291 0.82 RARB (0.46) ALDH1A1ACE2MEN1KMT2APLK1
SCHEMBL26597286 0.82 RARB (0.46) ALDH1A1ACE2MEN1KMT2APLK1
SCHEMBL26597216 0.82 RARB (0.43) ALDH1A1ACE2PLK1KAT8
SCHEMBL26597284 0.81 PPARA (0.43) ALDH1A1ACE2MEN1KMT2ATSHR

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-105203614-A Potassium ion biochemical analysis dry slide and preparation method thereof WU GUOQING 2015-12-30 CN disclosed