SCHEMBL3705883

SCHEMBL3705883

c1ccc2c(c1)COCCOCCCOCCOc1ccccc1CO2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ CRHBP P24387 2/20 0.57
▸ CRHR2 Q13324 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ OXTR P30559 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ BLM P54132 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL10861876 0.94 SMN1; SMN2 (0.48) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL35655 0.93 SMN1; SMN2 (0.63) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3366384 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL7565783 0.88 SMN1; SMN2 (0.74) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL4424800 0.88 SMN1; SMN2 (0.74) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL7567158 0.88 SMN1; SMN2 (0.74) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL19680565 0.81 LMNA (0.63) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL25951817 0.81 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8947096 0.80 SMN1; SMN2 (0.81) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL7788698 0.80 SMN1; SMN2 (0.81) SMN1; SMN2LMNACRHBPCRHR2HTT

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-115646190-A Co-production of ultra-pure lithium salt and 6 method for Li isotope and application thereof 中国科学院青海盐湖研究所 2023-01-31 — — CN disclosed
WO-2010094599-A1 METAL-TO-POLYMER BONDING USING AN ADHESIVE BASED ON EPOXIDES HENKEL AG & CO. KGAA (DE) 2010-08-26 — — WO disclosed
US-5247103-A Decarboxylation catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-09-21 — — US disclosed
EP-0476786-A2 Processes for the preparation of cyclic ethers UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-03-25 — — EP disclosed
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