SCHEMBL9805950

SCHEMBL9805950

CCC(CCCCN(C)C)Cc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.49
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 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
SCHEMBL131266 0.85 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL31073993 0.85 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7102378 0.84 FOLH1 (0.48) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27772890 0.81 FOLH1 (0.50) FOLH1ALDH1A1CA2KDM4E
SCHEMBL6259652 0.79 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8680643 0.79 ALDH1A1 (0.55) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6263207 0.78 ALDH1A1 (0.53) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL16167161 0.78 FOLH1 (0.50) FOLH1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8038086 0.77 FOLH1 (0.59) FOLH1KDM4E
SCHEMBL1636635 0.76 FOLH1 (0.41) FOLH1ALDH1A1CA2KDM4ELMNA

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-0417606-A2 Method of making highly adsorptive copolymers DOW CORNING CORPORATION (US) 1991-03-20 EP disclosed