SCHEMBL11595736

SCHEMBL11595736

O=C(CCCCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CES1 P23141 4/20 0.41
▸ FAAH O00519 3/20 0.41
▸ KCNN4 O15554 3/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL11598693 0.81 HDAC1 (0.42) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL34229 0.80 HDAC1 (0.51) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL13865461 0.78 KCNN4 (0.47) MAPTCES1KCNN4PTPN1GSK3B
SCHEMBL1308478 0.72 TDP1 (0.79) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL8939158 0.71 KCNN4 (0.48) MAPTCES1KCNN4GSK3BNPSR1
SCHEMBL7384285 0.71 TDP1 (0.83) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL7393801 0.71 TDP1 (0.83) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL28609280 0.71 TDP1 (0.83) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL559268 0.71 TDP1 (0.83) L3MBTL1LMNAMAPTTDP1CES1
SCHEMBL8939163 0.70 KCNN4 (0.44) L3MBTL1LMNAKCNN4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4075407-A HETEROCYCLIC PHOSPHONIUM SALTS G. D. SEARLE & CO. (US) 1978-02-21 — — US disclosed
US-4056562-A 3,5-Bisoxygenated 2-(ω-halo-3-oxygenated-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof G. D. SEARLE & CO. (US) 1977-11-01 — — US disclosed
US-4041050-A 3,5-Bisoxygenated 2-(ω-halo-3-oxo-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof G. D. SEARLE & CO. (US) 1977-08-09 — — US disclosed
US-3997588-A 3,5-Bisoxygenated 2-(ω-halo-3-oxygenated-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof G. D. SEARLE & CO. (US) 1976-12-14 — — US disclosed
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