SCHEMBL29781408

SCHEMBL29781408

CC1(C)OB(c2ccc3ccccc3n2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.45
▸ LIPG Q9Y5X9 2/20 0.45
▸ CYP1A2 P05177 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ NCF1 P14598 3/20 0.40
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL2268694 1.00 LPL (0.45) LPLLIPGCYP1A2HTTNCF1
SCHEMBL360717 0.85 LPL (0.49) LPLLIPGHTTLMNAALDH1A1
SCHEMBL21808930 0.84 RAB9A (0.40) LPLLIPGCYP1A2HTTLMNA
SCHEMBL29254215 0.80 LIPG (0.55) LPLLIPGBACE1
SCHEMBL20769136 0.78 ALDH1A1 (0.37) LPLLIPGHTTLMNAALDH1A1
SCHEMBL360716 0.78 LPL (0.42) LPLLIPGCYP1A2ALDH1A1NPC1
SCHEMBL20295219 0.77 ALDH1A1 (0.40) LPLLIPGHTTALDH1A1NPC1
SCHEMBL14884184 0.76 ALDH1A1 (0.41) LPLLIPGCYP1A2HTTLMNA
SCHEMBL14884188 0.76 ALDH1A1 (0.41) LPLLIPGCYP1A2HTTLMNA
SCHEMBL22963565 0.74 HPRT1 (0.41) LPLLIPGLMNAALDH1A1MAPT

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
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 — — CN claimed
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 — — CN disclosed
CN-113957441-B Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2024-01-02 — — CN disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 — — CN disclosed
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