SCHEMBL6180282

SCHEMBL6180282

COC(=O)C(C)(C)CCC(O)c1ccc(CCCC(C)(CO)C(=O)OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.35
RIPK1 Q13546 1/20 0.35
CYP4F2 P78329 2/20 0.35
HDAC1 Q13547 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRG P23470 1/20 0.34
ACP1 P24666 1/20 0.34
ADRB3 P13945 3/20 0.33
PPARA Q07869 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.32

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
SCHEMBL6184001 0.85 RIPK1 (0.39) RIPK1HDAC1ADRB3PPARAPPARG
SCHEMBL6180277 0.83 RIPK1 (0.47) RIPK1GAAADRB2
SCHEMBL13744313 0.74 RIPK1 (0.42) RIPK1GAAADRB2
SCHEMBL1799386 0.70 RARB (0.50) CYP4A11CYP4F2PTPRCPTPN2PTPN1
SCHEMBL13053751 0.69 CTRB1 (0.38) PTPRBPPARAPPARGBRS3
SCHEMBL1803021 0.69 CYP4A11 (0.45) CYP4A11CYP4F2PTPRCPTPN2PTPN1
SCHEMBL6178627 0.68 RIPK1 (0.39) RIPK1HDAC1ADRB3PPARAPPARG
SCHEMBL27818975 0.68 KCNN4 (0.44) HDAC1PTPRCPTPN2PTPN1PTPRB
SCHEMBL10264120 0.67 RIPK1 (0.50) RIPK1SMN1; SMN2TDP1
SCHEMBL8419523 0.67 PTGER2 (0.41) ADRB3ADRB2

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-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed