SCHEMBL990584

SCHEMBL990584

C=CCOC(=O)C1C2C=CC(C2)C1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
POLB P06746 4/20 0.59
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 3/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL7755420 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL14493389 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL4200784 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2POLBLMNATDP1
SCHEMBL4200789 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2POLBLMNATDP1
SCHEMBL5070821 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBLMNATDP1
SCHEMBL5068756 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL16022154 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL16022155 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL17277155 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL16022156 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAHTT

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
US-8399541-B2 Active energy ray-curable ink composition and printed matter DIC CORPORATION (JP) 2013-03-19 US disclosed
US-20110014438-A1 ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND PRINTED MATTER DIC CORPORATION (JP) 2011-01-20 US disclosed
EP-2258778-A1 ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND PRINTED MATTER DIC Corporation (JP) 2010-12-08 EP disclosed