SCHEMBL14619087

SCHEMBL14619087

COc1ccc(CCC(=O)NOCc2ccc(OCc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ FFAR1 O14842 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ F2RL1 P55085 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ UTS2R Q9UKP6 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14619463 0.84 ALDH1A1 (0.63) KMT2AALDH1A1HTTMEN1POLB
SCHEMBL14619461 0.83 MEN1 (0.57) KMT2AFFAR1ALDH1A1MAPTMAPK1
SCHEMBL15679198 0.80 FFAR1 (0.60) KMT2AFFAR1ALDH1A1MAPTMAPK1
SCHEMBL18475585 0.78 APP (0.69) FFAR1ALDH1A1MAPTMAPK1PARP10
SCHEMBL171857 0.78 APP (0.69) FFAR1ALDH1A1MAPTMAPK1PARP10
SCHEMBL5250063 0.77 FFAR1 (1.00) FFAR1POLBNPC1RAB9AF2RL1
SCHEMBL17054176 0.76 ALDH1A1 (0.67) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL14619239 0.76 ALDH1A1 (0.54) KMT2AFFAR1ALDH1A1MAPTMAPK1
SCHEMBL17054175 0.75 KMT2A (0.54) KMT2AFFAR1ALDH1A1MAPTGAA
SCHEMBL13903016 0.73 ALDH1A1 (0.67) KMT2AALDH1A1MAPTHTTMEN1

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
EP-0946478-B1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2007-02-14 — — EP disclosed
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