SCHEMBL14619239

SCHEMBL14619239

Cc1ccc(COc2ccc(CONC(=O)Cc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAOB P27338 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ EGFR P00533 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.49
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ CA12 O43570 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
SCHEMBL12687835 0.82 SMN1; SMN2 (0.63) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL13929696 0.80 APP (0.67) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL14619244 0.80 HDAC3 (0.55) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL28563640 0.78 MAOB (0.56) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL14619087 0.76 KMT2A (0.62) ALDH1A1MAPTMAPK1MAOBMEN1
SCHEMBL9659998 0.74 FFAR1 (0.71) MAOBMEN1KMT2ARXRARXRB
SCHEMBL14619461 0.74 MEN1 (0.57) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL14619462 0.73 RAB9A (0.61) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL14619088 0.72 RAB9A (0.85) ALDH1A1MAPTMAPK1MAOBPARP10
SCHEMBL8929713 0.72 MAOB (0.69) ALDH1A1MAPTMAPK1MAOBPARP10

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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