SCHEMBL29261743

SCHEMBL29261743

CCCCCOc1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.58
▸ PTPN1 P18031 2/20 0.53
▸ LTA4H P09960 2/20 0.49
▸ PTPN11 Q06124 1/20 0.46
▸ RARB P10826 3/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NR5A1 Q13285 1/20 0.43
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42

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
SCHEMBL28598504 0.84 KCNA3 (0.67) KCNA3PTPN1LTA4HPTPN11MEN1
SCHEMBL28194312 0.81 LTA4H (0.57) PTPN1LTA4HPTPN11RARBCYP1A2
SCHEMBL11120685 0.80 NR5A1 (0.53) PTPN1LTA4HPTPN11RARBMEN1
SCHEMBL9333532 0.79 RARB (0.50) LTA4HPTPN11RARBCYP1A2CYP2D6
SCHEMBL2437397 0.79 RARB (0.50) LTA4HPTPN11RARBCYP1A2CYP2D6
SCHEMBL31550426 0.79 LTA4H (0.66) KCNA3PTPN1LTA4HPTPN11RARB
SCHEMBL27604497 0.78 KCNA3 (0.71) KCNA3PTPN1PTPN11CYP1A2CYP19A1
SCHEMBL20678449 0.78 KCNA3 (0.71) KCNA3PTPN1PTPN11CYP1A2CYP19A1
SCHEMBL28986871 0.78 KCNA3 (0.70) KCNA3PTPN1CYP1A2CYP19A1CYP2C9
Ethane SCHEMBL3418824 0.78 RARB (0.49) LTA4HPTPN11RARBCYP1A2CYP2D6

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
CN-117946534-A Preparation method of blue dichromatic anthraquinone dye 晶美晟光电材料(南京)有限公司 2024-04-30 — — CN disclosed
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