SCHEMBL28160685

SCHEMBL28160685

O=C(O)C(Br)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.54
▸ HDAC3 O15379 3/20 0.52
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ HDAC5 Q9UQL6 3/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PPARG P37231 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL12222240 1.00 GRIK1 (0.54) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5870056 0.88 CNR2 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4061138 0.88 CNR2 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6248066 0.88 CNR2 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3544881 0.82 GRIK1 (0.59) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1856639 0.80 GRIK1 (0.72) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28315627 0.80 GRIK1 (0.57) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28315604 0.80 GRIK1 (0.57) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28014450 0.80 GRIK1 (0.57) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28315784 0.80 GRIK1 (0.57) GRIK1HDAC3HDAC1HDAC2HDAC8

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
CN-107074678-A Method for producing fullerene derivative 昭和电工株式会社 2017-08-18 — — CN disclosed
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