SCHEMBL28166122

SCHEMBL28166122

O=C(O)c1ccc(C2CCC2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.58
▸ KMO O15229 1/20 0.46
▸ TBK1 Q9UHD2 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ IKBKE Q14164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ SERPINE1 P05121 2/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL28325441 0.93 ACMSD (0.53) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL29156207 0.84 ACMSD (0.69) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL20503247 0.79 ACMSD (0.58) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL30280786 0.79 ACMSD (0.58) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL23374556 0.79 ACMSD (0.75) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL27592888 0.76 ACMSD (0.76) ACMSDKMOTBK1SMN1; SMN2KDM4E
SCHEMBL3495200 0.76 ACMSD (0.63) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL13544502 0.76 ACMSD (0.63) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL18091803 0.75 ACMSD (0.64) ACMSDKMOTBK1SMN1; SMN2IKBKE
SCHEMBL5251234 0.75 ACMSD (0.64) ACMSDKMOTBK1SMN1; SMN2IKBKE

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-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 — — CN disclosed
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