SCHEMBL30967955

SCHEMBL30967955

COC(OC)C12CCC(CC(=O)C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
BACE1 P56817 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCD Q05655 1/20 0.31
BUB1 O43683 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
SCHEMBL30968019 0.84 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL30967970 0.84 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL30968061 0.82 CHRM2 (0.37) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL6255532 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL30968111 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL25091833 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL30204761 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL30968027 0.77 DDB1 (0.36) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL30968017 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL23264965 0.73 CHRM2 (0.41) CHRM2CHRM1CHRM3DDB1CRBN

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
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed