SCHEMBL23092969

SCHEMBL23092969

CCCCCc1ccc(NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ PLK1 P53350 8/20 0.45
▸ PLK3 Q9H4B4 2/20 0.45
▸ TRPM2 O94759 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ KCNQ4 P56696 2/20 0.41
▸ KCNQ5 Q9NR82 2/20 0.41

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
SCHEMBL23093142 0.96 SMN1; SMN2 (0.47) SMN1; SMN2CNR2PLK1TP53TSHR
SCHEMBL23093086 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL23092995 0.87 SMN1; SMN2 (0.43) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL5869497 0.86 CNR2 (0.44) CNR2PLK1PLK3TRPM2PPARG
SCHEMBL23093133 0.83 CNR2 (0.43) CNR2PLK1PLK3TSHRKCNQ4
SCHEMBL19930251 0.83 PPARA (0.44) CNR2TSHRPPARAKCNQ4KCNQ5
SCHEMBL5162892 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2APPARGKCNQ4
SCHEMBL23093006 0.82 SMN1; SMN2 (0.41) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL23093001 0.82 KCNQ4 (0.39) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL5562681 0.82 KMT2A (0.47) CNR2PLK1PLK3MEN1KMT2A

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
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 — — WO disclosed
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