SCHEMBL269398

SCHEMBL269398

CCCCCC(CCC)c1ccccc1C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
SLC37A4 O43826 1/20 0.39
CA2 P00918 1/20 0.38
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2386406 0.95 CYSLTR2 (0.45) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL2387179 0.92 ALDH1A1 (0.41) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL30522478 0.91 PRSS1 (0.46) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL8087271 0.91 PRSS1 (0.46) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL27964129 0.88 CYSLTR2 (0.45) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL8102300 0.86 ALDH1A1 (0.46) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL8081850 0.86 ALDH1A1 (0.52) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL30768218 0.86 ALDH1A1 (0.52) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL8094370 0.86 CXCR5 (0.41) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL8080311 0.85 ALDH1A1 (0.55) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed