SCHEMBL7743919

SCHEMBL7743919

Cc1ccc(C(=O)CCCCCCCBr)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ SLC16A3 O15427 1/20 0.41
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL25532665 0.86 CHRM1 (0.45) L3MBTL1LMNAMAPTTDP1HPGDS
SCHEMBL4103688 0.80 HPGDS (0.63) HPGDSSLC16A3CNR2CYP1A2ALDH1A1
SCHEMBL7391883 0.78 PTPN1 (0.65) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL14124751 0.78 KMT2A (0.56) LMNAMAPTTDP1HPGDSSLC16A3
SCHEMBL7389358 0.76 PTPN1 (0.67) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL15587623 0.75 CYP1A2 (0.50) L3MBTL1MAPTHPGDSSLC16A3CNR2
SCHEMBL7390559 0.75 HSD11B1 (0.46) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7392527 0.72 LMNA (0.61) LMNAMAPTHDAC1HDAC3HDAC2
SCHEMBL7381802 0.72 LMNA (0.61) LMNAMAPTHDAC1HDAC3HDAC2
SCHEMBL11596220 0.72 CYP1A2 (0.46) LMNAMAPTHPGDSSLC16A3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 — — US disclosed
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