SCHEMBL31056006

SCHEMBL31056006

COC(=O)c1cc(C=O)c(O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.48
ABL1 P00519 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31056011 1.00 ERN1 (0.48) ERN1ABL1CA12CA1CA2
SCHEMBL31336100 0.84 ERN1 (0.51) ERN1CA12CA1CA2CA7
SCHEMBL1161943 0.84 ERN1 (0.51) ERN1CA12CA1CA2CA7
SCHEMBL14885169 0.82 CA12 (0.50) ABL1CA12CA1CA2CA7
SCHEMBL18309294 0.82 GAA (0.50) ABL1LMNAGAATSHRMEN1
SCHEMBL22717494 0.81 ERN1 (0.53) ERN1CA12CA1CA2CA7
SCHEMBL2650105 0.80 GAA (0.50) ABL1CA12CA1CA2CA7
SCHEMBL31056271 0.80 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL14032499 0.79 GAA (0.44) ERN1ABL1LMNAGAATSHR
SCHEMBL17632541 0.79 ALDH1A1 (0.50) ERN1LMNAGAATSHRMEN1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed