SCHEMBL7704572

SCHEMBL7704572

CCCCc1ccccc1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.48
LIPG Q9Y5X9 1/20 0.44
TLR8 Q9NR97 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7705057 0.89 ICMT (0.43) ICMTPPARGPPARA
Acetamide SCHEMBL8005417 0.86 LIPG (0.48) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL20541472 0.84 SIRT1 (0.43) ICMTTLR8ALDH1A1HPGDHSD17B10
SCHEMBL2461497 0.83 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10BIDMCL1
SCHEMBL2590889 0.82 GABRA1 (0.44) ICMTALDH1A1
Bicarbonate SCHEMBL27586024 0.82 LIPG (0.52) LIPGALDH1A1HPGDHSD17B10BID
SCHEMBL10339218 0.82 AKR1B1 (0.46) ICMTALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL4614435 0.81 LIPG (0.44) LIPGALDH1A1HPGDHSD17B10BID
SCHEMBL27708872 0.80 TLR8 (0.53) LIPGTLR8BIDMCL1BCL2L1
SCHEMBL19065024 0.80 ALDH1A1 (0.44) LIPGALDH1A1HPGDHSD17B10BID

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
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed
US-6353128-B1 FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK. ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed