SCHEMBL30858742

SCHEMBL30858742

COC(=O)C1CCCc2cc(F)cc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIN1 Q13526 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL24543311 0.77 SIRT1 (0.36) PIN1SLC6A3
SCHEMBL14058960 0.72 KDM4E (0.35) LMNAMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL6947201 0.72 HTR6 (0.33) HTR6RAB9A
SCHEMBL24542997 0.71 UGT2B17 (0.39) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4877854 0.71 ACHE (0.44) LMNAPIN1
SCHEMBL27982324 0.71 HTR6 (0.33) HTR6
SCHEMBL29609438 0.71 PIN1 (0.42) PIN1
SCHEMBL25401493 0.71 PIN1 (0.42) PIN1
SCHEMBL24543319 0.69 P2RX7 (0.37) LMNAMEN1RAB9AKMT2A
SCHEMBL24542962 0.69 SIRT1 (0.38) LMNAMEN1KMT2A

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-2024067566-A1 SATURATED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PHARMACEUTICAL USE THEREOF 苏州阿尔脉生物科技有限公司 2024-04-04 WO disclosed