SCHEMBL11025815

SCHEMBL11025815

COC1=CC(=O)C(=O)C=C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HKDC1 Q2TB90 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ERBB2 P04626 1/20 0.46
IDO1 P14902 2/20 0.43
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
PTPN1 P18031 1/20 0.43
TYR P14679 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL3417111 0.83 HKDC1 (0.56) MAPTHKDC1MEN1USP2TP53
Coprinin SCHEMBL3416504 0.82 ERBB2 (0.50) MAPTHKDC1MEN1USP2TP53
SCHEMBL49737 0.77 ERBB2 (0.62) MAPTHKDC1MEN1USP2TP53
SCHEMBL28856262 0.75 ERBB2 (0.59) MAPTHKDC1MEN1USP2TP53
Ubiquinone Qo SCHEMBL6760403 0.74 HKDC1 (0.63) MAPTHKDC1MEN1USP2TP53
SCHEMBL3624714 0.73 ALDH1A1 (0.50) MAPTMEN1USP2TP53CYP3A4
SCHEMBL9275509 0.72 HKDC1 (0.46) MAPTHKDC1MEN1USP2TP53
SCHEMBL10786651 0.72 ERBB2 (0.45) MAPTHKDC1MEN1USP2TP53
SCHEMBL29013752 0.70 HKDC1 (0.40) MAPTHKDC1MEN1USP2TP53
SCHEMBL684719 0.70 MAPT (0.73) MAPTHKDC1MEN1USP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054230-B1 MONOAZO DYESTUFFS AND USE AS IMAGE-FORMING DYESTUFFS IN COLOUR-PHOTOGRAPHIC REGISTRATION MATERIALS Agfa-Gevaert AG (DE) 1985-03-20 EP disclosed
EP-0054230-A2 Monoazo dyestuffs and use as image-forming dyestuffs in colour-photographic registration materials Agfa-Gevaert AG (DE) 1982-06-23 EP disclosed