SCHEMBL6664687

SCHEMBL6664687

Ic1ccc(OCCCCCCC2=NCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LTA4H P09960 1/20 0.36
▸ PDE1A P54750 4/20 0.34
▸ PDE1B Q01064 4/20 0.34
▸ PDE1C Q14123 4/20 0.34
▸ APP P05067 1/20 0.34

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
SCHEMBL9003784 0.82 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9003746 0.81 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL381338 0.76 ADRA2A (0.32) —
SCHEMBL9003861 0.76 ADRA2A (0.32) —
SCHEMBL471908 0.76 ADRA2A (0.32) —
SCHEMBL10410293 0.76 ADRA2A (0.32) —
SCHEMBL30073067 0.74 APP (0.56) KCNH2HRH3APP
SCHEMBL28597247 0.73 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15959538 0.71 PSMB1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9159941 0.71 HDAC3 (0.32) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242816-A1 Method for the production of a polymer conversion product by means of metal catalysis BASF AKTIENGESELLSCHAFT (DE) 2004-12-02 — — US disclosed
EP-1440095-A1 METHOD FOR THE PRODUCTION OF A POLYMER CONVERSION PRODUCT BY MEANS OF METAL CATALYSIS BASF AKTIENGESELLSCHAFT (DE) 2004-07-28 — — EP disclosed
WO-2003020774-A1 METHOD FOR THE PRODUCTION OF A POLYMER CONVERSION PRODUCT BY MEANS OF METAL CATALYSIS BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 — — WO disclosed
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