SCHEMBL9338679

SCHEMBL9338679

Cc1cc(SSc2[c]c(C(C)(C)C)cc(C)c2)[c]c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1304783 0.87 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL60651 0.81 ALDH1A1 (0.40) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6013954 0.75 ALDH1A1 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6165725 0.75 ALDH1A1 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8168542 0.71 ALDH1A1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL27854953 0.71 ALDH1A1 (0.43) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3823195 0.68 ALDH1A1 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8391443 0.67 HPN (0.33)
SCHEMBL11238235 0.65 GABRA1 (0.34) POLB
SCHEMBL4648563 0.64 KDM4E (0.33) ALDH1A1POLBSMN1; SMN2

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
EP-0280938-B1 Antioxidant aromatic fluorophosphites ETHYL CORP (US) 1994-06-15 EP disclosed