SCHEMBL22471847

SCHEMBL22471847

CCCCCCCCCCCCCCCCC(C)C(=O)Oc1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 6/20 0.43
HTR1A P08908 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ADRB2 P07550 1/20 0.40
NR5A1 Q13285 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL28129972 1.00 GAA (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL6938745 0.87 NR5A1 (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL6913900 0.87 NR5A1 (0.50) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28133278 0.85 LMNA (0.47) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138201 0.82 PRSS1 (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL15546907 0.81 ELANE (0.46) PRSS1PRSS2PRSS3CA1
SCHEMBL22500350 0.81 ESR1 (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28664038 0.80 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL6931958 0.80 LMNA (0.54) PRSS1NR5A1CA1
SCHEMBL28668593 0.80 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1

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
WO-2020196073-A1 REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT パイロットインキ株式会社 2020-10-01 WO disclosed