SCHEMBL9836722

SCHEMBL9836722

CCCCCCCCCC(=O)N(CC)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
PTPN1 P18031 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL18992933 0.98 ALDH1A1 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL26133370 0.92 ALDH1A1 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL9837471 0.89 DGKA (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL27519107 0.86 KDM5A (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL9003370 0.83 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL27547411 0.82 KDM5A (0.54) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25336766 0.81 NAAA (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL27574676 0.81 DGKA (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL11116449 0.80 TSHR (0.47) CES2CES1GPR84PPARGPPARD
SCHEMBL9835801 0.80 LMNA (0.34) PPARGPPARDPPARATSHRALDH1A1

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-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP disclosed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed