SCHEMBL6377477

SCHEMBL6377477

COC(=O)c1cnc(OC)c(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GABRA5 P31644 1/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VNN1 O95497 2/20 0.43
KDM5B Q9UGL1 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PSMD14 O00487 1/20 0.42
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6382788 0.89 MRGPRX4 (0.45) TSHRVNN1RAB9A
SCHEMBL6378169 0.86 LMNA (0.51) LMNAHPGDTSHRCA1CA2
SCHEMBL6378385 0.84 NR1H2 (0.43) LMNAHPGDTSHRCA1CA2
SCHEMBL6378785 0.84 BRAF (0.49) KDM4EMAPTRAB9AALDH1A1
SCHEMBL24934082 0.82 MAPK1 (0.45) LMNAHPGDCA1CA2GABRA5
SCHEMBL22502075 0.81 HPGD (0.56) LMNAHPGDKDM4EL3MBTL1MAPT
SCHEMBL31133147 0.81 ATM (0.47) LMNAHPGDCA1CA2GABRA5
SCHEMBL31682840 0.80 MAPK1 (0.42) LMNAHPGDCA1CA2GABRA5
SCHEMBL4393302 0.80 MAPK1 (0.42) LMNAHPGDCA1CA2GABRA5
SCHEMBL6425131 0.80 MAOB (0.45) MAPTRAB9AALDH1A1

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-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed