SCHEMBL5209906

SCHEMBL5209906

COc1cc[c]c(Cl)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ERN1 O75460 5/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 3/20 0.33

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
SCHEMBL5207598 0.78 MAPT (0.46) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL2350414 0.78 CA12 (0.35) KDM4EALDH1A1LMNACYP3A4MAPT
SCHEMBL15389450 0.77 MAPT (0.33) TP53KDM4EALDH1A1CYP3A4MAPT
SCHEMBL10336692 0.77 MAPT (0.45) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL315476 0.77 MAPT (0.33) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL4176958 0.77 KDM4E (0.45) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL22833910 0.75 MAPT (0.43) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL1637723 0.75 KDM4E (0.32) KDM4EALDH1A1CYP3A4MAPTMAPK1
SCHEMBL28567295 0.75 TP53 (0.35) TP53KDM4EALDH1A1LMNACYP3A4
SCHEMBL4871847 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
US-6184245-B1 Cyclic ketone derivatives and their medical applications TORAY INDUSTRIES INC. (JP) 2001-02-06 US disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
EP-0962456-A1 CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-12-08 EP disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed