SCHEMBL14404530

SCHEMBL14404530

CCCCC(CC)COc1cc(OC)c(C(=O)Oc2ccc(C=O)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 10/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL14404535 0.90 TDP1 (0.47) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL12317952 0.87 ALDH1A1 (0.44) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL13183851 0.87 ALDH1A1 (0.44) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL12318270 0.85 ALDH1A1 (0.43) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL13483966 0.85 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL13359803 0.83 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL13994656 0.83 KMT2A (0.41) ALDH1A1CYP3A4MAPK1TSHRLMNA
SCHEMBL13994657 0.83 KMT2A (0.41) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL12513092 0.81 ALDH1A1 (0.39) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL12317950 0.81 ALDH1A1 (0.39) TDP1ALDH1A1CYP3A4CA2MAPK1

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-2007111388-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-10-04 — — WO disclosed
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