SCHEMBL9730349

SCHEMBL9730349

Cc1ccc(C(C)N(O)C(=O)c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
GSR P00390 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
PTGS2 P35354 2/20 0.36
AKR1C3 P42330 1/20 0.35

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
SCHEMBL8807791 0.71 ALOX5 (1.00) ALOX5
SCHEMBL9832797 0.71 ALOX5 (0.43) ALOX5GSRSMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL8807165 0.70 ALOX5 (0.97) ALOX5
SCHEMBL8806921 0.70 ALOX5 (0.97) ALOX5
SCHEMBL8806331 0.69 ALOX5 (0.66) ALOX5
SCHEMBL11657126 0.67 GSR (0.56) GSRSMN1; SMN2KMT2APTGS2AKR1C3
SCHEMBL3285163 0.66 HPGD (0.43) ALOX5SMN1; SMN2
SCHEMBL8808277 0.64 ALOX5 (0.57) ALOX5SMN1; SMN2KMT2A
SCHEMBL8049079 0.64 ENPP2 (0.50) GSRPTGS2AKR1C3
SCHEMBL12220052 0.63 L3MBTL1 (0.68) GSRSMN1; SMN2KMT2A

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-5112848-A Antiasthmatics and antiarthritic agents ABBOTT LABORATORIES (US) 1992-05-12 US disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed