SCHEMBL22996181

SCHEMBL22996181

Cc1noc(C2CC2)c1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.31
GRM5 P41594 1/20 0.30
LMNA P02545 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
SCHEMBL22996203 0.79 PTGDR2 (0.33) RETMEN1ALDH1A1KMT2AATM
SCHEMBL3155322 0.78 RET (0.41) RETMEN1ALDH1A1KMT2AATM
SCHEMBL3167531 0.78 PTGDR2 (0.32) RETMEN1ALDH1A1KMT2AATM
SCHEMBL8254522 0.77 LMNA (0.43) MEN1ALDH1A1KMT2AATMLMNA
SCHEMBL21908096 0.76 BRD4 (0.34) RETMEN1ALDH1A1KMT2AATM
SCHEMBL28791949 0.75 PTGDR2 (0.31) RETMEN1ALDH1A1KMT2AATM
SCHEMBL21191135 0.75 RET (0.40) RETMEN1ALDH1A1KMT2AATM
SCHEMBL18949094 0.73 GAA (0.32) MEN1ALDH1A1KMT2AATMLMNA
SCHEMBL16019485 0.72 RET (0.32) RET
SCHEMBL23114349 0.70 NR1H4 (0.54)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
WO-2021028336-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 WO disclosed