SCHEMBL9903580

SCHEMBL9903580

CCCCCC(CC)c1c(C(=O)O)cccc1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SLC37A4 O43826 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PLK1 P53350 2/20 0.36
CXCR5 P32302 1/20 0.35

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
SCHEMBL10936470 0.87 ALDH1A1 (0.50) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL9998671 0.81 CXCR5 (0.49) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL27958078 0.80 ALDH1A1 (0.55) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL27173937 0.79 ALDH1A1 (0.43) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL27838149 0.77 KDM4E (0.47) ALDH1A1CA12CA9KDM4EMEN1
SCHEMBL3837935 0.76 SLC37A4 (0.42) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL6889087 0.75 KDM4E (0.40) ALDH1A1CA12CA9KDM4EMEN1
SCHEMBL8459173 0.75 PLK1 (0.44) ALDH1A1TSHRTP53GAAMAPT
SCHEMBL433915 0.75 ALDH1A1 (0.52) ALDH1A1CA12CA9PRSS1PRSS2
SCHEMBL1134750 0.74 SLC37A4 (0.54) ALDH1A1CA12CA9PRSS1PRSS2

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
EP-1360146-B1 PROCESS FOR THE PREPARATION OF AQUEOUS SUSPENSIONS OF ANIONIC COLLOIDAL SILICA HAVING A NEUTRAL PH AND APPLICATIONS THEREOF AZ ELECTRONIC MATERIALS USA (US) 2012-06-13 EP claimed