SCHEMBL28768046

SCHEMBL28768046

NC(=O)OC1CCOc2cc(Sc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.39
▸ KDM4C Q9H3R0 4/20 0.38
▸ KDM6B O15054 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.36
▸ TRPV1 Q8NER1 4/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL28768185 0.90 KDM4C (0.36) MGLLKDM4CKDM6BTRPV1FFAR1
SCHEMBL28768211 0.86 KDM4C (0.49) MGLLKDM4CKDM6BCTNNB1WNT3A
SCHEMBL28768092 0.86 MGLL (0.42) MGLLKDM4CKDM6BTRPV1
SCHEMBL28943661 0.84 TSHR (0.42) KDM4CKDM6BPTGDR2
SCHEMBL28768180 0.84 KIF11 (0.44) KDM4CCTNNB1WNT3ATRPV1
SCHEMBL28768183 0.84 MAP3K14 (0.40) MGLLKDM4CKDM6BKDM4EPTGDR2
SCHEMBL28768317 0.81 KDM4C (0.36) KDM4CKDM6BKDM4E
SCHEMBL28768120 0.80 SMYD3 (0.36) KDM4CKDM6BCTNNB1WNT3A
SCHEMBL28769309 0.79 KDM4C (0.47) MGLLKDM4CTRPV1
SCHEMBL23362309 0.79 TRPV1 (0.46) MGLLKDM4CKDM6BTRPV1SIRT2

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
CN-114641477-B Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 — — CN claimed
CN-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 — — CN claimed
CN-114641477-B Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 — — CN disclosed
CN-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 — — CN disclosed
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