SCHEMBL8724932

SCHEMBL8724932

N#CC(CCCCCCCCCCOc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.55
▸ HDAC2 Q92769 13/20 0.55
▸ HDAC3 O15379 11/20 0.55
▸ HDAC4 P56524 11/20 0.55
▸ HDAC7 Q8WUI4 11/20 0.55
▸ HDAC10 Q969S8 11/20 0.55
▸ HDAC11 Q96DB2 11/20 0.55
▸ HDAC8 Q9BY41 11/20 0.55
▸ HDAC6 Q9UBN7 11/20 0.55
▸ HDAC9 Q9UKV0 11/20 0.55
▸ HDAC5 Q9UQL6 11/20 0.55
▸ RARB P10826 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ HRH4 Q9H3N8 2/20 0.47

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
SCHEMBL6258623 0.90 KCNA3 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8729254 0.84 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364932 0.82 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7496644 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4310754 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1580334 0.76 LTB4R (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28658748 0.76 LTB4R (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
Bromide SCHEMBL6049690 0.76 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
Bromide SCHEMBL6049689 0.76 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8939347 0.75 LTB4R (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861230-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL, INC. (US) 1998-09-02 — — EP disclosed
WO-1997014674-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL INC. (US) 1997-04-24 — — WO disclosed
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