SCHEMBL31584536

SCHEMBL31584536

CC(C)(C)OC(=O)CCCn1cccc(I)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.43
▸ CNR2 P34972 3/20 0.40
▸ DUT P33316 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL25395276 0.78 CNR2 (0.37) TNFCNR2DUTALDH1A1HDAC6
SCHEMBL31584367 0.78 TNF (0.37) TNFCNR2DUTKDM4EALDH1A1
SCHEMBL25394242 0.75 HDAC8 (0.39) TNFCNR2ALDH1A1HDAC6HDAC3
SCHEMBL25393843 0.74 SIGMAR1 (0.38) TNFDUT
SCHEMBL31688997 0.74 CNR1 (0.46) CNR2KDM4EALDH1A1CNR1
SCHEMBL31584352 0.73 FPR2 (0.41) TNFCNR2DUT
SCHEMBL25392985 0.71 SIGMAR1 (0.38) CNR2DUTHDAC6HDAC3HDAC1
SCHEMBL22114505 0.70 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL25391946 0.70 ALDH1A1 (0.35) CNR2KDM4EALDH1A1HDAC6HDAC3
SCHEMBL12638925 0.70 KMT2A (0.61) ALDH1A1HDAC6HDAC3HDAC4HDAC1

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-2025106863-A1 LACTAM DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-05-22 — — WO disclosed
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