SCHEMBL21895152

SCHEMBL21895152

COCC1c2ccccc2-c2ccc(COCc3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FABP5 Q01469 2/20 0.35
EPHX2 P34913 1/20 0.34
HTR2A P28223 1/20 0.34
KMT2A Q03164 1/20 0.34
PDK2 Q15119 1/20 0.34
FABP7 O15540 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL9632441 0.78 TSHR (0.52) TSHRCA1CA2FABP5EPHX2
SCHEMBL31501939 0.78 CA1 (0.53) CA1CA2FABP5EPHX2HTR2A
SCHEMBL456018 0.78 CA1 (0.53) CA1CA2FABP5EPHX2HTR2A
SCHEMBL15800627 0.76 CA1 (0.42) CA1CA2FABP5EPHX2HTR2A
SCHEMBL3823250 0.73 CA1 (0.42) TSHRCA1CA2FABP5EPHX2
SCHEMBL9754310 0.70 TSHR (0.39) TSHRJAK2
SCHEMBL18720952 0.70 ALDH1A1 (0.49) FABP5EPHX2KMT2AFABP7L3MBTL1
SCHEMBL27355090 0.69 NPC1 (0.49) CA1CA2HTR2APDK2L3MBTL1
SCHEMBL34473477 0.69 CA1 (0.47) CA1CA2FABP5EPHX2HTR2A
SCHEMBL7594934 0.67 HTR2A (0.39) CA1CA2FABP5HTR2AKMT2A

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-10626220-B2 Precursor for polyimide and use thereof ETERNAL MATERIALS CO., LTD. (TW) 2020-04-21 US disclosed