SCHEMBL5517403

SCHEMBL5517403

C=CC(=O)OCCCOc1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
TDP1 Q9NUW8 3/20 0.47
PARP10 Q53GL7 1/20 0.47
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 3/20 0.45
CYP3A4 P08684 2/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44

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
SCHEMBL5530467 0.97 THRB (0.62) THRBTDP1PARP10LMNATSHR
SCHEMBL16885031 0.96 THRB (0.61) THRBTDP1PARP10LMNATSHR
SCHEMBL1945995 0.93 THRB (0.65) THRBTDP1PARP10LMNATSHR
SCHEMBL19354406 0.93 THRB (0.65) THRBTDP1PARP10LMNATSHR
SCHEMBL16885070 0.93 THRB (0.55) THRBTDP1LMNATSHRCYP1A2
SCHEMBL103247 0.93 THRB (0.55) THRBTDP1LMNATSHRCYP1A2
SCHEMBL11917945 0.93 THRB (0.55) THRBTDP1LMNATSHRCYP1A2
SCHEMBL18470122 0.93 THRB (0.55) THRBTDP1LMNATSHRCYP1A2
SCHEMBL16379469 0.92 THRB (0.57) THRBTDP1PARP10LMNACYP1A2
SCHEMBL18200239 0.92 THRB (0.57) THRBTDP1PARP10LMNACYP1A2

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