SCHEMBL14404535

SCHEMBL14404535

CCCCC(CC)COc1ccc(C(=O)Oc2ccc(C=O)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL14404530 0.90 TDP1 (0.47) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL12436449 0.87 KMT2A (0.49) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL12436440 0.86 KMT2A (0.48) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL12513102 0.85 KMT2A (0.42) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL12436446 0.82 PPARG (0.50) TDP1ALDH1A1MAPK1TSHRCA2
SCHEMBL8982619 0.81 ALDH1A1 (0.51) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL3819051 0.79 TDP1 (0.51) TDP1ALDH1A1MAPK1TSHRCA2
SCHEMBL12318270 0.78 ALDH1A1 (0.43) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL13183851 0.77 ALDH1A1 (0.44) TDP1KMT2AALDH1A1MAPK1TSHR
SCHEMBL12317952 0.77 ALDH1A1 (0.44) TDP1KMT2AALDH1A1MAPK1TSHR

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
Send feedback