SCHEMBL9509388

SCHEMBL9509388

O=C(O)CCCC(=O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7824225 0.96 HDAC8 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7814770 0.90 NR4A2 (0.55) ATMSMN1; SMN2TBXAS1ALDH1A1HPGD
SCHEMBL30089542 0.86 ALDH1A1 (0.53) ATMSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL15979732 0.86 ALDH1A1 (0.53) ATMSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL29573358 0.83 GABRA1 (0.48) SMN1; SMN2MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL6686914 0.83 GABRA1 (0.48) SMN1; SMN2MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL5253810 0.81 L3MBTL1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6616967 0.81 HTT (0.50) ATMMAPK1ALDH1A1MAPTLMNA
SCHEMBL5660953 0.81 ALDH1A1 (0.47) HDAC1HDAC8SMN1; SMN2ALDH1A1HPGD
SCHEMBL5253811 0.81 L3MBTL1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319900-B1 FURYL, PHENYLENE AND THIENYL LEUKOTRIENE B4 ANALOGUES G.D. Searle & Co. (US) 1993-09-29 — — EP disclosed
US-4970229-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1990-11-13 — — US disclosed
US-4970234-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1990-11-13 — — US disclosed
US-4855324-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1989-08-08 — — US disclosed
EP-0319900-A2 Furyl, phenylene and thienyl leukotriene B4 analogues G.D. Searle & Co. (US) 1989-06-14 — — EP disclosed
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