SCHEMBL22338787

SCHEMBL22338787

CCC(=O)NC(Cc1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.59
HDAC1 Q13547 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
YAP1 P46937 1/20 0.48
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
ACACB O00763 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL22302993 1.00 NLRP3 (0.59) NLRP3HDAC1HDAC6CTSGCMA1
SCHEMBL22285670 0.86 ITGB3 (0.52) NLRP3ACACB
SCHEMBL22285669 0.86 ITGB3 (0.52) NLRP3ACACB
SCHEMBL6139160 0.86 NLRP3 (0.58) NLRP3HDAC1HDAC6CTSGCMA1
SCHEMBL11925979 0.84 GAA (0.60) NLRP3CTSGCMA1
SCHEMBL25446628 0.83 MDM4 (0.64) NLRP3HDAC1HDAC6MDM4MDM2
SCHEMBL11940462 0.83 MDM4 (0.64) NLRP3HDAC1HDAC6MDM4MDM2
SCHEMBL22338883 0.82 LNPEP (0.53) HDAC1HDAC6MDM4MDM2POLB
SCHEMBL22303600 0.82 LNPEP (0.53) HDAC1HDAC6MDM4MDM2POLB
SCHEMBL22303780 0.82 TAS1R3 (0.54) HDAC1HDAC6MDM4MDM2POLB

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-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed