SCHEMBL30889149

SCHEMBL30889149

CCC(OC(=O)Br)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL6980833 0.81 LMNA (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14693780 0.80 ALDH1A1 (0.33) LMNATSHR
SCHEMBL1232896 0.78 TSHR (0.48) CHRM2CHRM4CHRM1LMNATSHR
SCHEMBL1698005 0.78 TSHR (0.48) CHRM2CHRM4CHRM1LMNATSHR
SCHEMBL6725545 0.78 TSHR (0.31) LMNATSHR
SCHEMBL6725548 0.78 MMP1 (0.34) LMNATSHR
SCHEMBL15438050 0.76 MGAM (0.39) LMNATSHR
SCHEMBL12863899 0.76 SMN1; SMN2 (0.34) TSHR
SCHEMBL12412835 0.76 MEN1 (0.36) LMNA
SCHEMBL6721191 0.76

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-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed