SCHEMBL2828909

SCHEMBL2828909

CCC(C)(C)c1cc(CCc2cc(C(C)(C)CC)c(OCCCCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCCCCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APAF1 O14727 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAD52 P43351 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 1/20 0.31

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
SCHEMBL2832552 0.96 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2832942 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AAPAF1HSP90AA1
SCHEMBL2836408 0.92 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2832776 0.90 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2832486 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AAPAF1HSP90AA1
SCHEMBL2835781 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2831184 0.88 CYP3A4 (0.39) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2832778 0.88 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2833407 0.87 MAPT (0.38) ALDH1A1MEN1KMT2AAPAF1HSP90AA1
SCHEMBL2829825 0.85 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPT

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
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed