SCHEMBL23980609

SCHEMBL23980609

COc1ccc2cc(OC)c(CCS)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
APLNR P35414 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
DHODH Q02127 1/20 0.44
AOC3 Q16853 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP11B1 P15538 2/20 0.41

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
SCHEMBL7524528 0.82 ADRA1A (0.68) ADRA1ATAAR1AOC3CA12CA1
SCHEMBL5971447 0.82 APLNR (0.59) ADRA1ATAAR1APLNRCYP1A2CA12
SCHEMBL8558574 0.78 CA12 (0.65) CYP1A2CYP2A6PDE10ACA12CA1
SCHEMBL23371163 0.72 CYP1A2 (0.56) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL30092293 0.72 CYP1A2 (0.56) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL23980701 0.72 KDM4E (0.49) PDE10ASLC2A1HTR2A
SCHEMBL6891918 0.71 CYP1A2 (0.71) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL7456084 0.71 CYP1A2 (0.71) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL443528 0.71 CYP2A6 (0.80) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL2249185 0.71 CYP1A2 (0.71) CYP1A2CYP2A6CA12CA1CA2

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-2021222542-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed