SCHEMBL13640616

SCHEMBL13640616

CCOCc1cc(COCC)cc(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.44
▸ LTA4H P09960 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4963981 0.85 TSHR (0.35) NQO1TSHR
SCHEMBL27602227 0.77 ALDH1A1 (0.50) TSHR
SCHEMBL11964291 0.77 NQO1 (0.44) NQO1LTA4HTSHRTDP1TP53
SCHEMBL5309551 0.77 NQO1 (0.64) NQO1LTA4HTSHRTDP1GPR84
SCHEMBL6418439 0.76 TACR1 (0.43) —
SCHEMBL19535070 0.74 ACHE (0.44) MAPT
SCHEMBL5236102 0.74 NQO1 (0.46) NQO1LTA4HTSHRTDP1TP53
SCHEMBL1683212 0.74 NQO1 (0.65) NQO1LTA4HTSHRTDP1TP53
SCHEMBL6155258 0.74 ACHE (0.32) LTA4HRAB9ASMN1; SMN2
SCHEMBL6157821 0.74 ALDH1A1 (0.31) RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9104101-B2 Resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-08-11 — — US disclosed
US-9104101-B2 Resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-08-11 — — US disclosed
US-20120282551-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-11-08 — — US disclosed
US-20120282551-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-11-08 — — US disclosed
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