SCHEMBL9495752

SCHEMBL9495752

CCOC(=O)c1cccc2sccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
CDC25B P30305 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CLEC4M Q9H2X3 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 2/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL15353454 0.84 TSHR (0.45) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL29599494 0.82 TSHR (0.46) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL826816 0.82 TSHR (0.46) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL21494809 0.81 ADRA2A (0.37) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL23459940 0.80 CA12 (0.50) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL9150759 0.79 TSHR (0.73) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL9494725 0.79 TSHR (0.58) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL6777873 0.79 CA12 (0.45) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL6337807 0.79 CNR2 (0.41) HPGDCYP1A2POLBCYP3A4GAA
SCHEMBL28967942 0.78 CNR2 (0.40) ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 EP disclosed