SCHEMBL11822816

SCHEMBL11822816

CCCC(=O)OC(CC)N(CCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL11825761 0.90 TP53 (0.43) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11829272 0.90 TP53 (0.40) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11830975 0.85 TP53 (0.41) TP53SMN1; SMN2ALDH1A1GLATSHR
SCHEMBL11835764 0.82 TP53 (0.44) TP53SMN1; SMN2ALDH1A1GLATSHR
SCHEMBL11825771 0.80 TP53 (0.42) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11828834 0.78 ALDH1A1 (0.42) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11828887 0.77 NPC1 (0.40) TP53GAAMAPTALDH1A1ESR1
SCHEMBL11653002 0.77 TP53 (0.44) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11826484 0.73 ALDH1A1 (0.43) TP53MAPTALDH1A1GLATSHR
SCHEMBL11836303 0.72 NPC1 (0.38) TP53SMN1; SMN2GAAALDH1A1ESR1

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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