SCHEMBL9563128

SCHEMBL9563128

CC1=CCC(C(=O)OC(=O)C2CC=C(C)CC2C(=O)O)C(C(=O)O)C1.O=C(O)C1CC=CCC1C(=O)OC(=O)C1CC=CCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.49
TDP1 Q9NUW8 5/20 0.49
CASP6 P55212 2/20 0.49
CTDSP1 Q9GZU7 2/20 0.49
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
GRK2 P25098 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL354461 0.94 POLB (0.50) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751001 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751984 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751983 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL1751002 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL60089 0.85 POLB (0.61) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL28666781 0.83 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL28672104 0.83 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
Lithium SCHEMBL30537011 0.83 POLB (0.59) POLBTDP1CASP6CTDSP1ALDH1A1
SCHEMBL15129768 0.82 POLB (0.52) POLBTDP1CASP6CTDSP1ALDH1A1

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
EP-0558905-A1 Aqueous coating compositions from polyethylene terephthalate THE SHERWIN-WILLIAMS COMPANY (US) 1993-09-08 EP claimed