SCHEMBL7776233

SCHEMBL7776233

CCCCCCCCC(Br)(CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
LCK P06239 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CES2 O00748 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 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
SCHEMBL11156087 1.00 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL7530157 1.00 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL6931988 1.00 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL6045650 0.98 PPARD (0.41) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL27520410 0.91 PPARD (0.47) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL6045545 0.91 PPARD (0.38) PPARDLCKZDHHC20ZDHHC2GPR84
SCHEMBL28985021 0.89 PPARD (0.45) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL12003172 0.88 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL2678677 0.82 SMPD1 (0.43) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL1732567 0.82 MEN1 (0.35) PPARDLCKZDHHC20ZDHHC2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690345-B1 Two-equivalent magenta photographic couplers with activity-modifying ballasting groups EASTMAN KODAK CO (US) 2001-09-05 EP disclosed
US-5610003-A Two-equivalent magenta photographic couplers with activity-modifying ballasting groups EASTMAN KODAK COMPANY (US) 1997-03-11 US disclosed
EP-0690345-A1 Two-equivalent magenta photographic couplers with activity-modifying ballasting groups EASTMAN KODAK COMPANY (US) 1996-01-03 EP disclosed