SCHEMBL3849334

SCHEMBL3849334

CC(=CCCOc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
MMP2 P08253 6/20 0.54
MMP3 P08254 5/20 0.51
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
RAB9A P51151 1/20 0.43
KCNA5 P22460 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL9186699 0.92 PPARA (0.54) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL3865671 0.91 L3MBTL1 (0.47) ALDH1A1MAPTRAB9A
SCHEMBL9436674 0.87 MAPT (0.52) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL9436676 0.87 MAPT (0.52) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL1274376 0.86 MMP2 (0.57) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL1274379 0.86 MMP2 (0.57) ALDH1A1MAPTMMP2MMP3MMP1
SCHEMBL2063529 0.84 LTA4H (0.45) PPARD
SCHEMBL3187272 0.84 RAB9A (0.48) ALDH1A1MAPTPPARDRAB9AMAOB
SCHEMBL3478186 0.84 L3MBTL1 (0.56) PPARARAB9AMAOB
SCHEMBL15256 0.84 MTNR1A (0.51) ALDH1A1MAPTHDAC1HDAC2RAB9A

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
US-20090131577-A1 PIGMENT COMPOSITION, WATER-BASED PIGMENT DISPERSION, METHOD OF PRODUCING WATER-BASED PIGMENT DISPERSION, WATER-BASED INK FOR INK JET RECORDING, AND POLYMER COMPOUND FUJIFILM CORPORATION (JP) 2009-05-21 US disclosed