SCHEMBL31316625

SCHEMBL31316625

CC(C)(C)OC(=O)C1CCCC(=O)[C@@H]1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL21597573 1.00 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL16286714 0.81 MAPK1 (0.40) MAPK1HRH3
SCHEMBL3780480 0.76 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3THRB
SCHEMBL1296115 0.74 EPHX1 (0.41) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL25453169 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL2502211 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL30364247 0.74 BTK (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL27551188 0.74 EPHX1 (0.39) MAPK1CHRM2CHRM1CHRM3EPHX1
SCHEMBL13624568 0.74 NFKB1 (0.42) EPHX1F2F10PRSS1
Hydrochloric Acid SCHEMBL27551210 0.73 EPHX1 (0.38) MAPK1CHRM2CHRM1CHRM3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879800-A Synthesis method of (R) -3-tert-butoxycarbonyl amino cyclohexanone 苏州弗莱明生物技术有限公司 2024-11-01 CN claimed
CN-118879800-A Synthesis method of (R) -3-tert-butoxycarbonyl amino cyclohexanone 苏州弗莱明生物技术有限公司 2024-11-01 CN disclosed
CN-118879800-A Synthesis method of (R) -3-tert-butoxycarbonyl amino cyclohexanone 苏州弗莱明生物技术有限公司 2024-11-01 CN disclosed
CN-118879800-A Synthesis method of (R) -3-tert-butoxycarbonyl amino cyclohexanone 苏州弗莱明生物技术有限公司 2024-11-01 CN disclosed