SCHEMBL1855787

SCHEMBL1855787

C=C(C)C(=O)OCc1ccccc1.C=C(CC=C(C)C(=O)O)C(=O)OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL195082 1.00 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL2946643 0.96 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL4580895 0.94 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL189711 0.89 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL8942785 0.89 TSHR (0.47) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL1228085 0.87 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL2097594 0.87 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HCAR2TDP1
SCHEMBL2689920 0.87 TSHR (0.50) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL16651566 0.87 TSHR (0.50) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL2221918 0.87 ALDH1A1 (0.33) ALDH1A1TDP1MAPK1

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-20110102662-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING THE SAME, AND SOLID-STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2011-05-05 US disclosed