SCHEMBL9110108

SCHEMBL9110108

[CH2]CCCCCC(=O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HDAC1 Q13547 7/20 0.43
▸ HDAC8 Q9BY41 6/20 0.43
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL5253811 0.84 L3MBTL1 (0.46) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL7824225 0.84 HDAC8 (0.59) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL5253810 0.84 L3MBTL1 (0.46) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL15844695 0.83 HTT (0.51) ALDH1A1LMNAMAPTHDAC1HDAC8
SCHEMBL28223023 0.83 HTT (0.51) ALDH1A1LMNAMAPTHDAC1HDAC8
SCHEMBL15844766 0.83 HTT (0.51) ALDH1A1LMNAMAPTHDAC1HDAC8
SCHEMBL5416922 0.83 HTT (0.51) ALDH1A1LMNAMAPTHDAC1HDAC8
SCHEMBL15979732 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL30089542 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL2113189 0.81 CYP19A1 (0.51) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 — — CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 — — EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 — — WO disclosed
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