SCHEMBL13994657

SCHEMBL13994657

CCCCC(CCCC)COc1cc(OC)c(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5cc(OC)c(OCC(CC)CC)cc5OC)cc4)cc3OC)cc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CA2 P00918 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HIF1A Q16665 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
SCHEMBL12318270 0.97 ALDH1A1 (0.43) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL13359803 0.91 ALDH1A1 (0.41) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL13183851 0.90 ALDH1A1 (0.44) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12317952 0.90 ALDH1A1 (0.44) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL13994656 0.89 KMT2A (0.41) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL13483966 0.87 ALDH1A1 (0.42) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12317950 0.87 ALDH1A1 (0.39) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL13813145 0.85 ALDH1A1 (0.40) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12513092 0.83 ALDH1A1 (0.39) KMT2AALDH1A1TSHRMAPK1CYP3A4
SCHEMBL14404530 0.83 TDP1 (0.47) KMT2AALDH1A1TSHRMAPK1CYP3A4

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
US-7462306-B2 Cellulose acylate film, process for producing cellulose acylate film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2008-12-09 — — US disclosed
Send feedback