SCHEMBL22433768

SCHEMBL22433768

CC(C)(C(=O)OCc1ccccc1)c1cc(CO)c(O)c(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ ELANE P08246 2/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL15910890 0.80 LMNA (0.54) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL17472474 0.79 ALDH1A1 (0.47) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL23876184 0.78 ALDH1A1 (0.46) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL4679715 0.75 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL3045824 0.74 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL24773109 0.74 POLB (0.52) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL23876186 0.74 NPC1 (0.49) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL11625164 0.74 ALDH1A1 (0.49) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL23876180 0.74 KMT2A (0.50) ALDH1A1LMNATDP1KMT2AMAPK1
SCHEMBL228601 0.74 NR4A2 (0.51) ALDH1A1LMNATDP1KMT2ASLC6A2

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-2020184629-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2020-09-17 — — WO disclosed
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