SCHEMBL10667085

SCHEMBL10667085

CCCCCCC/N=C1/S/C(=C\C(=O)O)C(=O)N1CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 10/20 0.44
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDF Q9HBH1 1/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL10664570 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10667087 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10662819 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10662807 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10661496 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10664577 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10661502 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10666033 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10666304 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1
SCHEMBL10666297 1.00 CDC25A (0.44) CDC25AS1PR1S1PR3KDM4EALDH1A1

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