SCHEMBL7724844

SCHEMBL7724844

COC(=O)c1cccc2oc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.47
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.35
ATM Q13315 2/20 0.35
DHFR P00374 1/20 0.35
SCN2A Q99250 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
SCHEMBL7734105 0.89 TOP2A (0.48) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL1271524 0.80 SMN1; SMN2 (0.49) TOP2AMAPTPOLBKDM4EALDH1A1
SCHEMBL7721972 0.77 TOP2A (0.55) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL4307487 0.76 TOP2A (0.54) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL9178689 0.76 TOP2A (0.54) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL7735172 0.75 SMN1; SMN2 (0.59) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL7440762 0.75 TOP2A (0.55) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL27379841 0.73 TOP2A (0.51) TOP2AMAPTNPC1RAB9AKDM4E
SCHEMBL4303871 0.72 TOP2A (0.50) TOP2AMAPTPOLBNPC1RAB9A
SCHEMBL12900291 0.72 TOP2A (0.47) TOP2AMAPTNPC1RAB9AKDM4E

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed