SCHEMBL25951817

SCHEMBL25951817

c1ccc2c(c1)CCCOCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CRHBP P24387 2/20 0.61
▸ CRHR2 Q13324 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ ITGB2 P05107 1/20 0.50
▸ ICAM1 P05362 1/20 0.50
▸ ITGAL P20701 1/20 0.50
▸ GAA P10253 2/20 0.46
▸ CTNNB1 P35222 3/20 0.42
▸ WNT3A P56704 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ OXTR P30559 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ BLM P54132 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CLK1 P49759 1/20 0.36

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
SCHEMBL19050816 0.98 SMN1; SMN2 (0.65) SMN1; SMN2LMNACRHBPCRHR2HTT
Tetrahydrofuran SCHEMBL27935038 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8447 0.87 ITGB2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
Fluoride SCHEMBL28202465 0.87 ITGB2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL5313090 0.87 ITGB2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL28007596 0.87 ITGB2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL29356442 0.87 ITGB2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
Ammonia Solution, Strong SCHEMBL2078097 0.85 ITGB2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
Water SCHEMBL5189676 0.85 ITGB2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
Bromide SCHEMBL11373619 0.85 ITGB2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024576-B2 Quaternized polyaromatics for use in electrochemical devices ORION POLYMER CORP. (US) 2024-07-02 — — US disclosed
US-20230250207-A1 QUATERNIZED POLYAROMATICS FOR USE IN ELECTROCHEMICAL DEVICES ORION POLYMER CORP. (US) 2023-08-10 — — US disclosed
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