SCHEMBL11558372

SCHEMBL11558372

[CH2]c1sccc1OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31

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
SCHEMBL9035702 0.75
SCHEMBL11659943 0.68 RAB9A (0.54)
SCHEMBL19066706 0.65 CA2 (0.37)
SCHEMBL3795021 0.64 CYP2A6 (0.42)
SCHEMBL6111603 0.64 KCNH2 (0.37)
SCHEMBL11560486 0.63 GSK3B (0.36)
SCHEMBL7814831 0.63 MRGPRX1 (0.39)
SCHEMBL27294828 0.63 KMT2A (0.42)
SCHEMBL3820431 0.63 CA1 (0.45)
SCHEMBL29428931 0.63 CA1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed