SCHEMBL20005026

SCHEMBL20005026

COCCN(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL20004348 0.83 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AMMP2SMN1; SMN2
SCHEMBL18562081 0.79 BRAF (0.41) MEN1KMT2AALDH1A1RAB9A
SCHEMBL12204015 0.78 AOC3 (0.43) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6868406 0.78 RPS6KA2 (0.45) L3MBTL1SLC2A1SMN1; SMN2NPC1ALDH1A1
SCHEMBL21146822 0.76 SLC2A1 (0.55) KDM4CL3MBTL1MEN1KMT2ASLC2A1
SCHEMBL12229858 0.75 APP (0.33) L3MBTL1SLC2A1ALDH1A1RAB9A
SCHEMBL27536583 0.75 FAAH (0.42) L3MBTL1MEN1KMT2AACACBALDH1A1
SCHEMBL27536584 0.75 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AACACBALDH1A1
SCHEMBL3039281 0.74 TDP1 (0.46) L3MBTL1ALDH1A1
SCHEMBL20322556 0.74 KCNH2 (0.47) L3MBTL1MEN1KMT2ASMN1; SMN2

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 — — WO disclosed
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