SCHEMBL21647132

SCHEMBL21647132

O=C(/C=C/c1cc(Cl)ccc1O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ AR P10275 2/20 0.62
▸ MAOB P27338 2/20 0.59
▸ TYR P14679 1/20 0.59
▸ GRM5 P41594 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.55
▸ CXCL12 P48061 1/20 0.54
▸ DHODH Q02127 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GABRA3 P34903 1/20 0.51
▸ GABRA2 P47869 1/20 0.51
▸ GABRB2 P47870 1/20 0.51
▸ ERN1 O75460 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL21647133 1.00 MAPT (0.68) MAPTMAPK1ARMAOBTYR
SCHEMBL17459350 0.90 MAPT (0.71) MAPTMAPK1ARMAOBCYP1B1
SCHEMBL21647126 0.88 TYR (0.72) MAPTMAPK1ARMAOBTYR
SCHEMBL21647110 0.88 TYR (0.72) MAPTMAPK1ARMAOBTYR
SCHEMBL29837044 0.88 TYR (0.72) MAPTMAPK1ARMAOBTYR
SCHEMBL1659465 0.84 TYR (0.77) MAPTMAOBTYRCYP1B1MEN1
SCHEMBL1659468 0.84 TYR (0.77) MAPTMAOBTYRCYP1B1MEN1
SCHEMBL27737862 0.83 MAPT (0.57) MAPTMAPK1ARMAOBTYR
SCHEMBL27737861 0.83 MAPT (0.57) MAPTMAPK1ARMAOBTYR
SCHEMBL10341663 0.83 TYR (0.60) MAPTMAPK1MAOBTYRCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890975-B Compound with fused ring chroman structure and preparation method thereof 合肥工业大学 2023-07-18 — — CN claimed
CN-114890975-A Compound with parachroman structure and preparation method thereof 合肥工业大学 2022-08-12 — — CN claimed
CN-118852084-A Method for promoting synthesis of selenoflavone by using visible light 南通大学 2024-10-29 — — CN disclosed
CN-116162079-B Synthesis method of aminocoumarin compound 浙江工业大学 2024-09-17 — — CN disclosed
CN-116836198-A Synthesis method of 2-aryl-4-phosphono-4H-chromene compound 成都大学 2023-10-03 — — CN disclosed
CN-114890975-B Compound with fused ring chroman structure and preparation method thereof 合肥工业大学 2023-07-18 — — CN disclosed
CN-116162079-A Synthesis method of aminocoumarin compound 浙江工业大学 2023-05-26 — — CN disclosed
CN-114890975-A Compound with parachroman structure and preparation method thereof 合肥工业大学 2022-08-12 — — CN disclosed
CN-108774207-B Cyclopenta [ c ] chromene compounds and process for preparing the same 苏州大学张家港工业技术研究院 2021-12-17 — — CN disclosed
WO-2020024099-A1 CYCLOPENTADIENYL [C] CHROMIUM COMPOUND AND PREPARATION METHOD THEREFOR 苏州大学张家港工业技术研究院 2020-02-06 — — WO disclosed
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