SCHEMBL29655819

SCHEMBL29655819

c1ccc2c(c1)CCSO2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
OXTR P30559 1/20 0.38
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
CES1 P23141 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2C P28335 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL731982 1.00 MAOA (0.39) MAOAMAOBOXTRTSHRABCG2
SCHEMBL1724300 1.00 MAOA (0.39) MAOAMAOBOXTRTSHRABCG2
SCHEMBL375376 1.00 MAOA (0.39) MAOAMAOBOXTRTSHRABCG2
SCHEMBL4502914 0.87 TSHR (0.42) MAOAMAOBOXTRTSHRABCG2
SCHEMBL9119817 0.87 TSHR (0.42) MAOAMAOBOXTRTSHRABCG2
SCHEMBL1724509 0.76 MAOA (0.42) MAOAMAOBOXTRTSHRABCG2
SCHEMBL217973 0.76
SCHEMBL16972815 0.74 PRCP (0.33)
SCHEMBL9116473 0.72 MAOA (0.35) MAOAMAOBOXTRTSHRABCG2
SCHEMBL9116466 0.71 MAOA (0.38) MAOAMAOBOXTRTSHRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
EP-4045490-A1 NEW AROMATIC MONOTHIOKETALS AS ODORIFEROUS SUBSTANCES Symrise AG (DE) 2022-08-24 EP disclosed
WO-2022102731-A1 CANCER TREATMENT BY COMBINED USE OF EP4 ANTAGONIST AND IMMUNE CHECKPOINT INHIBITOR 小野薬品工業株式会社 2022-05-19 WO disclosed