SCHEMBL7705057

SCHEMBL7705057

CCCc1ccccc1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PPARD Q03181 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PLA2G2A P14555 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
PRKCI P41743 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7704572 0.89 ICMT (0.48) ICMTPPARGPPARA
SCHEMBL2590889 0.85 GABRA1 (0.44) ICMTGAANPSR1
SCHEMBL10339218 0.85 AKR1B1 (0.46) ICMTPLA2G2AGAANPSR1
Benzene SCHEMBL15265833 0.83 AKR1B1 (0.50) PLA2G2AGAANPSR1
SCHEMBL4032382 0.82 AKR1B1 (0.57) PPARGPPARA
SCHEMBL27734152 0.79 L3MBTL1 (0.53) ICMTGAANPSR1
Butane SCHEMBL9614624 0.78 AKR1B1 (0.59) ICMTGAANPSR1
SCHEMBL28135229 0.78 ICMT (0.41) ICMTSIRT1PRKCI
Hydrogen Peroxide SCHEMBL29092952 0.78 LIPG (0.45) PPARGPPARAGAA
Ethane SCHEMBL28047378 0.78 KDM4E (0.41) ICMTGAANPSR1

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-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 WO disclosed