SCHEMBL7778192

SCHEMBL7778192

CCCCN(CC)C(C)CO

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
ALDH2 P05091 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2454531 0.91 ALDH1A1 (0.36) CA12CA1CA9ALDH1A1LMNA
SCHEMBL7776738 0.86 FDPS (0.35) CA12CA1CA9ALDH1A1LMNA
SCHEMBL15133972 0.86 FDPS (0.38) TSHR
SCHEMBL7775089 0.86 FDPS (0.38) TSHR
SCHEMBL27254164 0.84 ALDH1A1 (0.42) CA12CA1CA9ALDH1A1LMNA
SCHEMBL11184838 0.84 LMNA (0.39) CA12CA1CA9ALDH1A1LMNA
SCHEMBL8749793 0.82 LMNA (0.43) CA12CA1CA9ALDH1A1LMNA
SCHEMBL7770538 0.81 CA12 (0.31) CA12CA1CA9MMP1MMP2
SCHEMBL29003701 0.81 MAPT (0.33) ALDH1A1TSHRALDH2
SCHEMBL30353887 0.81 TDP1 (0.35) ALDH1A1LMNAMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed