SCHEMBL17301201

SCHEMBL17301201

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)c4ccc(OCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.60
MAPT P10636 4/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL8775039 0.97 THRB (0.60) THRBMAPTPRSS1ACRLMNA
SCHEMBL17301216 0.97 THRB (0.60) THRBMAPTPRSS1ACRLMNA
SCHEMBL18470122 0.97 THRB (0.55) THRBMAPTPRSS1ACRLMNA
SCHEMBL11917945 0.97 THRB (0.55) THRBMAPTPRSS1ACRLMNA
SCHEMBL16885070 0.97 THRB (0.55) THRBMAPTPRSS1ACRLMNA
SCHEMBL103247 0.97 THRB (0.55) THRBMAPTPRSS1ACRLMNA
SCHEMBL17301203 0.96 THRB (0.58) THRBMAPTPRSS1ACRLMNA
SCHEMBL16885050 0.96 THRB (0.54) THRBMAPTPRSS1ACRLMNA
SCHEMBL16885052 0.96 THRB (0.54) THRBMAPTPRSS1ACRLMNA
SCHEMBL816208 0.96 THRB (0.54) THRBMAPTPRSS1ACRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed