SCHEMBL5530467

SCHEMBL5530467

C=CC(=O)OCCCCOc1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PARP10 Q53GL7 1/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL16885031 0.99 THRB (0.61) THRBTDP1LMNANPC1CYP3A4
SCHEMBL5517403 0.97 THRB (0.62) THRBTDP1LMNANPC1CYP3A4
SCHEMBL1945995 0.96 THRB (0.65) THRBTDP1LMNANPC1CYP3A4
SCHEMBL19354406 0.96 THRB (0.65) THRBTDP1LMNANPC1CYP3A4
SCHEMBL24599284 0.95 THRB (0.63) THRBTDP1LMNANPC1CYP3A4
SCHEMBL24599283 0.95 THRB (0.63) THRBTDP1LMNANPC1CYP3A4
SCHEMBL16674157 0.93 THRB (0.55) THRBTDP1LMNANPC1CYP3A4
SCHEMBL13220816 0.93 THRB (0.55) THRBTDP1LMNANPC1CYP3A4
SCHEMBL12794252 0.93 THRB (0.55) THRBTDP1LMNANPC1CYP3A4
SCHEMBL450098 0.93 THRB (0.55) THRBTDP1LMNANPC1CYP3A4

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-2007083848-A1 COMPOSITION, RETARDATION PLATE, LIQUID-CRYSTAL DISPLAY DEVICE, AND METHOD FOR PRODUCING RETARDATION PLATE FUJIFILM CORPORATION (JP) 2007-07-26 WO disclosed