SCHEMBL165955

SCHEMBL165955

CC(C)=C(C)C(=O)OCCCC(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7456092 0.78 TSHR (0.39) TSHRALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3805425 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28844447 0.76 TGFBR1 (0.33) ALDH1A1LMNA
SCHEMBL1162547 0.76 TSHR (0.38) TSHR
SCHEMBL1171604 0.76 TSHR (0.42) TSHRALDH1A1CHRM5CHRM1CHRM3
SCHEMBL2858386 0.76 THRB (0.34) LMNACHRM5CHRM1CHRM3
SCHEMBL10399606 0.75 TSHR (0.61) TSHRALDH1A1LMNA
SCHEMBL3238710 0.75 TSHR (0.46) TSHRALDH1A1
SCHEMBL4544191 0.75 ALDH1A1 (0.50) TSHRALDH1A1LMNACHRM5CHRM1
SCHEMBL4428712 0.75 TSHR (0.46) TSHRALDH1A1

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
WO-2012028825-A1 ULTRA-THIN FILMS OF MOLECULARLY IMPRINTED POLYMERS CONFINED TO THE SURFACE OF A SUBSTRATE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-03-08 WO disclosed