SCHEMBL11828894

SCHEMBL11828894

CCCCN(CC(C)OC(C)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11830979 0.92 NPSR1 (0.42) CNR2ALDH1A1ADRB2NPSR1HDAC1
SCHEMBL11826491 0.85 SCN1A (0.44) CNR2ALDH1A1NPC1RAB9AMEN1
Acetic Acid SCHEMBL7529892 0.82 CNR2 (0.47) CNR2ALDH1A1ADRB2POLBKDM4E
SCHEMBL10993844 0.77 ALDH1A1 (0.41) CNR2ALDH1A1ADRB2GAANPC1
SCHEMBL11821132 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10993847 0.75 CNR2 (0.46) CNR2ALDH1A1ADRB2POLBKDM4E
SCHEMBL26837455 0.74 ALDH1A1 (0.49) CNR2ALDH1A1POLBKDM4EGAA
SCHEMBL27600203 0.74 CNR2 (0.48) CNR2ALDH1A1POLBKDM4EGAA
SCHEMBL11672079 0.74 CNR2 (0.43) CNR2ALDH1A1ADRB2POLBKDM4E
SCHEMBL11676199 0.73 PGR (0.45) CNR2ALDH1A1ADRB2POLBKDM4E

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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