SCHEMBL28066993

SCHEMBL28066993

CCCCCCCCCCCCCCCCC(CCCCCCCCCC)Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CSNK1E P49674 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 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
SCHEMBL7779144 1.00 PRSS1 (0.42) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL7784189 0.99 PRSS1 (0.41) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL11577258 0.96 CA12 (0.38) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL7821746 0.91 ALDH1A1 (0.38) RECQLCA12CA9LMNAMYC
SCHEMBL7786031 0.89 PRSS1 (0.37) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL7783848 0.88 ALDH1A1 (0.43) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL31186825 0.88 ALDH1A1 (0.43) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL7787182 0.87 PRSS1 (0.36) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL5177185 0.87 PRSS1 (0.36) PRSS1PRSS2PRSS3RECQLCA12
SCHEMBL15208029 0.87 ALDH1A1 (0.43) PRSS1PRSS2PRSS3RECQLCA12

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
CN-104017953-B The overspeed quenching oil composition and method of making the same that a kind of cooling rate stability is excellent 江苏鑫露新材料股份有限公司 2016-07-06 CN claimed
CN-104017953-B The overspeed quenching oil composition and method of making the same that a kind of cooling rate stability is excellent 江苏鑫露新材料股份有限公司 2016-07-06 CN disclosed