SCHEMBL6901783

SCHEMBL6901783

CC(C)=COc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 5/20 0.52
HTT P42858 3/20 0.52
GAA P10253 2/20 0.52
SRC P12931 1/20 0.52
PLIN1 O60240 1/20 0.52
RAB9A P51151 1/20 0.52
PLIN5 Q00G26 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABHD5 Q8WTS1 1/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A1 P04798 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP1B1 Q16678 4/20 0.45
MAOA P21397 2/20 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
SCHEMBL7172080 0.87 MAPT (0.50) MAPTLMNAHTTGAASRC
SCHEMBL6899190 0.85 KDM4E (0.52) MAPTLMNAHTTGAASRC
SCHEMBL6903967 0.84 MAPT (0.51) MAPTLMNAHTTGAASRC
SCHEMBL6901796 0.83 MAPT (0.49) MAPTLMNAHTTGAASRC
SCHEMBL6898972 0.75 KDM4E (0.57) MAPTLMNAHTTGAASRC
SCHEMBL6901805 0.73 KDM4E (0.60) MAPTLMNAHTTGAASRC
SCHEMBL6903392 0.72 MAPT (0.56) MAPTLMNAHTTGAASRC
SCHEMBL6905188 0.71 MAPT (0.54) MAPTLMNAHTTGAASRC
SCHEMBL21387007 0.71 KCNA3 (0.55) MAPTHTTGAAKMT2AKDM4E
SCHEMBL6905179 0.69 MAPT (0.56) MAPTLMNAHTTGAASRC

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-6767916-B2 1-(4-METHYL-7-(3-METHYLBUT-2-ENYLOXY)COUMARIN-8-YL)-3-(PYRIDIN E-3-YL)- PROPEN-1-ONE FOR EXAMPLE; ANTIPROLIFERATIVE AGENT; TUMOR, CANCER TREATMENT INDENA S.P.A. (IT) 2004-07-27 US disclosed