SCHEMBL28598504

SCHEMBL28598504

CCCCCOc1ccc(Oc2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.67
▸ LTA4H P09960 3/20 0.54
▸ ELANE P08246 6/20 0.51
▸ PTPN1 P18031 2/20 0.48
▸ TTR P02766 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ CTSG P08311 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41

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
SCHEMBL20678449 0.85 KCNA3 (0.71) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL27604497 0.85 KCNA3 (0.71) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL28986871 0.84 KCNA3 (0.70) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL29261743 0.84 KCNA3 (0.58) KCNA3LTA4HELANEPTPN1MEN1
SCHEMBL918577 0.80 KCNA3 (0.63) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL16076555 0.80 KCNA3 (0.62) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL8509039 0.79 ELANE (0.45) KCNA3ELANECTSG
SCHEMBL28498709 0.79 KCNA3 (0.62) KCNA3ELANEPTPN1TTRMEN1
SCHEMBL21816994 0.79 CES2 (0.53) KCNA3PTPN1ADORA2AMEN1MAPT
SCHEMBL11110221 0.79 CES2 (0.53) KCNA3ELANEADORA2AMEN1MAPT

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
CN-112980212-B Synthetic method of diphenyl ether anthraquinone dye 江苏和成新材料有限公司 2023-02-28 — — CN disclosed
CN-112980212-A Synthetic method of diphenyl ether anthraquinone dye 江苏和成新材料有限公司 2021-06-18 — — CN disclosed
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