SCHEMBL16093539

SCHEMBL16093539

C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC6A3 Q01959 4/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL13234516 0.91 MAOB (0.41) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL12302214 0.89 SMN1; SMN2 (0.42) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL17399559 0.88 MEN1 (0.35) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL15942835 0.88 TSHR (0.41) ALDH1A1L3MBTL1TP53MAPK1SMN1; SMN2
SCHEMBL9976333 0.87 SMN1; SMN2 (0.34) CA12CA9MAPTL3MBTL1TP53
SCHEMBL17399555 0.84 PDK2 (0.35) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL21648635 0.83 MAPT (0.35) CA12CA9MAPTALDH1A1TP53
SCHEMBL21648614 0.83 CASP3 (0.35) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL17399556 0.82 PDK2 (0.37) ALDH1A1L3MBTL1USP2SMN1; SMN2MEN1
SCHEMBL21896322 0.82 MEN1 (0.31) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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-8841051-B2 Full color image forming method using two cyan toners KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-09-23 — — US disclosed
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