SCHEMBL7129094

SCHEMBL7129094

CCCCCCCCCCCC[C](CO)CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 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
ESR1 P03372 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
SCHEMBL2707313 1.00 TSHR (0.50) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL4552805 0.94 CES2 (0.46) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL8014202 0.88 CES1 (0.45) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL27706407 0.86 CES2 (0.43) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL7211309 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10
SCHEMBL9284134 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10
SCHEMBL11797136 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10
SCHEMBL11314393 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10
SCHEMBL17842045 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10
SCHEMBL6046243 0.84 CES2 (0.58) TSHRCES2CES1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030017321-A1 Porous resin film YUPO CORPORATION (JP) 2003-01-23 US disclosed