SCHEMBL29912817

SCHEMBL29912817

CC(C)N(C(=O)N(C)Cc1cc(F)cc(F)c1F)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 13/20 0.61
▸ HDAC3 O15379 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ DPP4 P27487 2/20 0.33
▸ DPP9 Q86TI2 2/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ TRPM8 Q7Z2W7 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
SCHEMBL17882376 1.00 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17874116 0.88 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29912757 0.88 RIPK1 (0.61) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29046387 0.83 RIPK1 (0.66) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17882280 0.76 RIPK1 (0.50) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL29912752 0.76 RIPK1 (0.50) RIPK1HDAC3HDAC6CES2CES1
SCHEMBL17882413 0.76 RIPK1 (1.00) RIPK1CES2CES1DPP4DPP9
SCHEMBL29912938 0.76 RIPK1 (1.00) RIPK1CES2CES1DPP4DPP9
SCHEMBL17882287 0.74 RIPK1 (1.00) RIPK1DPP4DPP9DPP8DPP7
SCHEMBL29912656 0.73 RIPK1 (1.00) RIPK1DPP4DPP9FAPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 — — CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 — — CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 — — CN disclosed
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