SCHEMBL7102378

SCHEMBL7102378

CCC(CCCCN)Cc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.48
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
HMGB1 P09429 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 1/20 0.38
CLCN2 P51788 1/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL31073993 0.87 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL131266 0.87 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9805950 0.84 FOLH1 (0.49) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27772890 0.83 FOLH1 (0.50) FOLH1ALDH1A1CA2HMGB1CLCN2
SCHEMBL8680643 0.81 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6259652 0.81 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL16167161 0.80 FOLH1 (0.50) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6263207 0.80 ALDH1A1 (0.53) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7102374 0.77 ALDH1A1 (0.47) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL31368262 0.77 ALDH1A1 (0.47) FOLH1PRSS1PRSS2PRSS3ALDH1A1

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-0863159-B1 Precipitation polymerization process for producing an oil adsorbent polymer capable of entrapping solid particles and liquids and the product thereof AMCOL INTERNATIONAL CORP (US) 2003-09-10 EP disclosed