SCHEMBL28915596

SCHEMBL28915596

CC(C)(C)OC(=O)C12CCC(CC1)CC2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30950334 0.81 ALDH1A1 (0.33)
SCHEMBL6348215 0.78 MAPK1 (0.33) CHRM2CHRM1CHRM3MEN1MAPK1
SCHEMBL4280912 0.75 GRM4 (0.35) MEN1KMT2A
SCHEMBL9852807 0.75 BTK (0.34) BTK
SCHEMBL20329780 0.74 BTK (0.44) BTKMEN1MAPK1KMT2A
SCHEMBL15440894 0.72 ALDH1A1 (0.34)
SCHEMBL5318288 0.72 ALDH1A1 (0.34)
SCHEMBL676616 0.71 GRM2 (0.31)
SCHEMBL7219863 0.70 ALDH1A1 (0.47) BTKCHRM2CHRM1CHRM3MEN1
SCHEMBL7099129 0.70 ALDH1A1 (0.47) BTKCHRM2CHRM1CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569706-A Therapeutic compounds 希四克斯探索有限公司 2025-03-07 CN disclosed
CN-112996785-B Therapeutic compounds 希四克斯探索有限公司 2024-12-06 CN disclosed
CN-112996785-A Therapeutic compounds 希四克斯探索有限公司 2021-06-18 CN disclosed