SCHEMBL24680295

SCHEMBL24680295

CC(C)CC1(CN2CCC(O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
KCNA3 P22001 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL18501635 0.84 ACHE (0.36) HTTHRH3ALDH1A1
SCHEMBL24680297 0.84
SCHEMBL16997036 0.82
SCHEMBL24680350 0.79
SCHEMBL26518482 0.79
SCHEMBL18994380 0.79 KDM1A (0.30)
SCHEMBL26500987 0.78
SCHEMBL24680327 0.77 KDM1A (0.31)
SCHEMBL172810 0.77 MEN1 (0.32) TSHRHRH3
SCHEMBL24680359 0.77 MEN1 (0.32) TSHRHRH3

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-2022188729-A1 FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed