SCHEMBL4435558

SCHEMBL4435558

C1=COc2ccccc2C1.[MgH2]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ OXTR P30559 1/20 0.38
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33

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
SCHEMBL29434883 0.98 MAOA (0.41) MAOAMAOBOXTRGAANPSR1
SCHEMBL1420110 0.98 MAOA (0.41) MAOAMAOBOXTRGAANPSR1
SCHEMBL7197365 0.98 MAOA (0.41) MAOAMAOBOXTRGAANPSR1
SCHEMBL9209 0.98 MAOA (0.41) MAOAMAOBOXTRGAANPSR1
SCHEMBL8666245 0.96 MAOA (0.37) MAOAMAOBOXTRGAANPSR1
SCHEMBL8016373 0.95 MAOA (0.39) MAOAMAOBOXTRGAANPSR1
SCHEMBL1228581 0.95 MAOA (0.39) MAOAMAOBOXTRGAANPSR1
SCHEMBL2515201 0.95 MAOA (0.39) MAOAMAOBOXTRGAANPSR1
SCHEMBL4618389 0.95 MAOA (0.39) MAOAMAOBOXTRGAANPSR1
SCHEMBL7690963 0.95 MAOA (0.39) MAOAMAOBOXTRGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158730-A1 A HOLDER LMJ DESIGNS (PTY) LTD (ZA) 2009-12-30 — — WO claimed
CN-113908825-B Solid catalyst containing chromium-magnesium hydrotalcite material composite biochar, and preparation method and application thereof 广东省科学院生物与医学工程研究所 2023-08-25 — — CN disclosed
CN-215209536-U Novel core-spun yarn 上大新材料(泰州)研究院有限公司 2021-12-17 — — CN disclosed
CN-101676664-A Rotary electric melting furnace SHENYANG DONGDA TECHNOLOGY CO 2010-03-24 — — CN disclosed
WO-2009158730-A1 A HOLDER LMJ DESIGNS (PTY) LTD (ZA) 2009-12-30 — — WO disclosed
US-4804030-A Tire bead separator MANDELKO MELVIN A (US) 1989-02-14 — — US disclosed
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