SCHEMBL7775290

SCHEMBL7775290

CCCCN(CCC)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CA2 P00918 1/20 0.31
KCNA5 P22460 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL331155 0.95 MMP1 (0.38) FDPSMMP1MMP2MMP3MMP8
SCHEMBL24857733 0.93 DNM1 (0.39) FDPSCA12CA1CA9SPHK1
Hydrochloric Acid SCHEMBL2140855 0.92 MMP1 (0.37) MMP1MMP2MMP3MMP8CA12
Ammonia Solution, Strong SCHEMBL5857243 0.92 MMP1 (0.37) FDPSMMP1MMP2MMP3MMP8
SCHEMBL30229878 0.90 DNM1 (0.40) MMP1MMP2MMP3MMP8CA12
SCHEMBL425307 0.89 FDPS (0.44) FDPSCA12CA1CA9CA2
SCHEMBL27188578 0.88 DNM1 (0.44) CA12CA1CA9ALDH1A1SPHK1
SCHEMBL30229867 0.88 DNM1 (0.44) CA12CA1CA9ALDH1A1SPHK1
SCHEMBL3536903 0.87 DNM1 (0.42) CA12CA1CA9SPHK1CA2
Hydrochloric Acid SCHEMBL28697019 0.87 FDPS (0.42) FDPSCA12CA1CA9CA2

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