SCHEMBL8368346

SCHEMBL8368346

CC(=O)c1ccc(-c2cc(C3=C(c4cc(-c5ccc(C(C)=O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
HSD17B1 P14061 3/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
STK17B O94768 1/20 0.36
PTGS1 P23219 1/20 0.35
PRF1 P14222 1/20 0.34
PLA2G10 O15496 1/20 0.34
KIF11 P52732 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL24060998 0.92 MAPT (0.39) HDAC6HSD17B1MAPTSMN1; SMN2STK17B
SCHEMBL21797211 0.92 MAPT (0.39) HDAC6HSD17B1MAPTSMN1; SMN2STK17B
SCHEMBL28337823 0.89 HDAC1 (0.42) HDAC6SMN1; SMN2PLA2G10ALDH1A1
SCHEMBL26770810 0.86 PLA2G10 (0.40) MAPTPLA2G10KDM4EPOLBNPC1
SCHEMBL3472776 0.83 ESR2 (0.46) HDAC6HSD17B1
SCHEMBL5466664 0.83 ESR1 (0.36) HSD17B1PLA2G10
SCHEMBL23246441 0.82 PLA2G10 (0.41) HDAC6MAPTSMN1; SMN2PLA2G10ALDH1A1
SCHEMBL15255594 0.81 PLA2G10 (0.42) MAPTSMN1; SMN2PLA2G10ALDH1A1KDM4E
SCHEMBL20527880 0.80 APP (0.39) MAPTSMN1; SMN2PRF1PLA2G10ALDH1A1
SCHEMBL26770808 0.80 PLA2G10 (0.38) MAPTPLA2G10KDM4EPOLBNPC1

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
JP-11255764-A None JP disclosed
JP-H11255764-A PHOTOCHROMIC CRYSTAL MATERIAL JAPAN SCIENCE & TECHNOLOGY CORP 1999-09-21 JP disclosed