SCHEMBL6737870

SCHEMBL6737870

CCC(C)OC(=O)CCCCCCCCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
EPHX2 P34913 1/20 0.49
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
TSHR P16473 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4896865 1.00 LMNA (0.53) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL10414871 1.00 LMNA (0.53) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL4896833 1.00 LMNA (0.53) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL8087700 1.00 LMNA (0.53) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL8092417 1.00 LMNA (0.53) LMNAEPHX2GPR84PPARGPPARD
Ammonia Solution, Strong SCHEMBL29597283 0.98 LMNA (0.52) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL791222 0.98 LMNA (0.50) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL793167 0.94 TSHR (0.52) LMNAEPHX2GPR84PPARGPPARD
SCHEMBL7768019 0.92 LMNA (0.61) LMNAEPHX2TSHRALDH1A1MEN1
SCHEMBL11041078 0.92 LMNA (0.61) LMNAEPHX2TSHRALDH1A1MEN1

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
US-6686428-B2 TRANSMETALLATION REAGENTS REACTED WITH ALPHA-HALOCARBONYL COMPOUNDS IN THE PRESENCE OF A METAL CATALYST THE PENN STATE RESEARCH FOUNDATION 2004-02-03 US disclosed
US-20020193543-A1 Transmetallation reagents reacted with alpha-halocarbonyl compounds in the presence of a metal catalyst NATIONAL INSTITUTES OF HEALTH 2002-12-19 US disclosed