SCHEMBL26319558

SCHEMBL26319558

CCC(OC)C(=O)NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 3/20 0.37
MMP2 P08253 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
MMP8 P22894 2/20 0.37
CA9 Q16790 2/20 0.37
MMP9 P14780 1/20 0.37
MMP3 P08254 1/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL25447596 0.83 HDAC7 (0.38) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL22605301 0.79 TSHR (0.39) ALDH1A1MMP1MMP2MMP3MAPK1
SCHEMBL4766747 0.77
Hydrochloric Acid SCHEMBL21378767 0.76 CA1 (0.44) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL20097759 0.72 ALDH1A1 (0.33) ALDH1A1MAPK1MEN1FAAHKMT2A
SCHEMBL13609165 0.72 TSHR (0.54) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL10031629 0.72 ALDH1A1 (0.42) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL13876693 0.72 ALDH1A1 (0.42) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL2122233 0.72 CA12 (0.42) ALDH1A1MMP1MMP2CA1CA2
SCHEMBL24848507 0.72 CA12 (0.42) ALDH1A1MMP1MMP2CA1CA2

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