SCHEMBL7974745

SCHEMBL7974745

CCc1ccc(Oc2nccc(-c3[c]nc(Oc4ccc(OCc5ccccc5)cc4)nc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SYK P43405 1/20 0.35
BCHE P06276 1/20 0.35
MAOB P27338 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
SCHEMBL7991980 0.87 MAOB (0.51) MAPK14MAOB
SCHEMBL7989153 0.80 ALDH1A1 (0.43) KMT2AMEN1MAPK1
SCHEMBL7985834 0.78 MEN1 (0.43) MAPK14KMT2AMEN1
SCHEMBL7986045 0.75 MEN1 (0.40) MAPK14KMT2AMEN1SYK
SCHEMBL7988190 0.74 PDE10A (0.45) MAPK14KMT2AMEN1MAPK1
SCHEMBL7986965 0.72 MAPT (0.41) MAPK14KMT2AMEN1MAPK1
SCHEMBL7986104 0.72 KDM4E (0.39) MAPK14
SCHEMBL464352 0.71 RXRA (0.66) RXRARXRBKMT2AMEN1CHRNA7
SCHEMBL5619630 0.70 LMNA (0.49) KMT2AMEN1BCHEMAOB
SCHEMBL11855314 0.69 LTA4H (0.60) RXRARXRBCHRNA7PPARGPPARD

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
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed