SCHEMBL9507056

SCHEMBL9507056

CC(=O)Oc1c(C)c(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PREP P48147 2/20 0.40
CELA1 Q9UNI1 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 1/20 0.38
TSHR P16473 1/20 0.37
TOP1 P11387 1/20 0.35

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
SCHEMBL13134484 0.97 LMNA (0.42) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5865884 0.94 LMNA (0.44) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9507051 0.85 KDM4E (0.36) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL10507448 0.83 KDM4E (0.35) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20075881 0.83 PREP (0.44) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20000080 0.82 KDM4E (0.37) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL10938410 0.82 POLB (0.49) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL21291912 0.82 KDM4E (0.37) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL14536530 0.82 POLB (0.34) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL28659567 0.82 POLB (0.57) LMNAALDH1A1HSD17B10KDM4EHPGD

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
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP disclosed
US-4827056-A HYPOCHLOROUS ACID KURARAY COMPANY LTD. (JP) 1989-05-02 US disclosed
EP-0282914-A2 Process for preparing chlorinated olefins KURARAY CO., LTD. (JP) 1988-09-21 EP disclosed