SCHEMBL31033436

SCHEMBL31033436

CCOC(=O)CCC1=CC[C@@H]2C[C@H]1C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.44
CXCR3 P49682 10/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL5495520 0.86 KDM4E (0.47) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL17035690 0.81 TSHR (0.50) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL584857 0.81 TSHR (0.50) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL17035688 0.81 TSHR (0.50) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL9723539 0.81 KCNH2 (0.56) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL9723418 0.81 KCNH2 (0.56) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL4097947 0.81 KCNH2 (0.50) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL4933865 0.78 KCNH2 (0.55) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL132597 0.78 KCNH2 (0.55) KCNH2KDM4ETDP1TSHRHTT
SCHEMBL11745664 0.78 KCNH2 (0.55) KCNH2KDM4ETDP1TSHRHTT

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-2024175905-A1 DIMER COMPOUNDS Kesmalea Therapeutics Limited (GB) 2024-08-29 WO disclosed