SCHEMBL10666243

SCHEMBL10666243

CCCCCCN1C(=O)/C(=C/C(=O)O)S/C1=N/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ CDC25A P30304 9/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ FAAH O00519 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10666251 1.00 S1PR1 (0.48) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10667434 0.85 LMNA (0.55) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10667429 0.85 LMNA (0.55) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10665560 0.83 S1PR1 (0.47) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10665557 0.83 S1PR1 (0.47) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10669210 0.82 PPARG (0.50) LMNAHPGDSMN1; SMN2PPARGMAPT
SCHEMBL10661496 0.76 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10664577 0.76 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10666304 0.76 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10666033 0.76 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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