SCHEMBL6375181

SCHEMBL6375181

COCCOc1cc(C(O)c2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 5/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 1/20 0.36
GRM4 Q14833 1/20 0.36
LTA4H P09960 1/20 0.35
ACHE P22303 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
SCHEMBL6378754 0.83 SMN1; SMN2 (0.43) BRD4CREBBPSMN1; SMN2ALDH1A1MAPK1
SCHEMBL12015847 0.79 ACACB (0.43) ACACBSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7267685 0.75 LTA4H (0.57) BRD4CREBBPALDH1A1LMNALTA4H
SCHEMBL10406643 0.72 SMN1; SMN2 (0.47) BRD4CREBBPSMN1; SMN2ALDH1A1LMNA
SCHEMBL2585341 0.70 KDM4C (0.50) ACACBALDH1A1KDM4E
SCHEMBL30464945 0.70 KDM4C (0.50) ACACBALDH1A1KDM4E
SCHEMBL5323724 0.70 LOX (0.42) ACACBGRM4
SCHEMBL12017658 0.70 UHRF1 (0.43) ACACBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL10183827 0.69 LOXL2 (0.46) ACACB
SCHEMBL29784889 0.69 TSHR (0.44) SMN1; SMN2ALDH1A1LMNAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
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
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed