SCHEMBL26319463

SCHEMBL26319463

CC(C)NC(=O)C(C)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20907635 1.00 MLYCD (0.38) MLYCDCA12CA1CA2MMP1
SCHEMBL21149312 1.00 MLYCD (0.38) MLYCDCA12CA1CA2MMP1
SCHEMBL24568853 0.81 TAS1R3 (0.37) —
SCHEMBL12890245 0.78 MLYCD (0.37) MLYCDCA12CA1CA2MMP1
SCHEMBL26665615 0.78 MLYCD (0.37) MLYCDCA12CA1CA2MMP1
SCHEMBL26666338 0.78 MLYCD (0.37) MLYCDCA12CA1CA2MMP1
SCHEMBL9963456 0.77 DPP4 (0.41) MLYCDCA12CA1CA2MMP1
SCHEMBL6348001 0.77 CA2 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL8570371 0.77 KMT2A (0.34) MLYCDKMT2A
SCHEMBL16015868 0.77 DPP4 (0.41) MLYCDCA12CA1CA2MMP1

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-2023164057-A1 DI-CYCLOPROPYL BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-08-31 — — WO disclosed
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