SCHEMBL20215428

SCHEMBL20215428

CCC(C)(I)C(=O)OCCOC(=O)c1cccc2c(O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL18898038 0.93 KDM4E (0.42) CDC25BTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL15113881 0.87 CDC25B (0.47) CDC25BTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL20215425 0.84 TYR (0.36) CDC25BKDM4ECA12CA1CA2
SCHEMBL18897972 0.82 IDO1 (0.40) CDC25BALDH1A1ESR1ESR2KMT2A
SCHEMBL11060407 0.80 ALDH1A1 (0.64) CDC25BTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL17737119 0.80 KDM4E (0.44) CDC25BTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL18671832 0.78 CDC25B (0.37) CDC25BALDH1A1ESR1ESR2KMT2A
SCHEMBL18671983 0.78 ESR1 (0.49) CDC25BALDH1A1ESR1ESR2KMT2A
SCHEMBL10961102 0.77 TSHR (0.66) CDC25BTDP1ALDH1A1TSHRL3MBTL1
SCHEMBL20691727 0.77 CDC25B (0.47) CDC25BTDP1ALDH1A1TSHRL3MBTL1

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
US-10234757-B2 Polymer, making method, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-19 — — US disclosed
US-9989847-B2 Onium salt compound, resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-05 — — US disclosed
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