SCHEMBL2836562

SCHEMBL2836562

CCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CC)c(OCCCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCCCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HTT P42858 2/20 0.32
UBE2N P61088 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2833407 0.96 MAPT (0.38) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2834967 0.93 MAPT (0.39) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2833400 0.89 TP53 (0.38) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2836072 0.89 ALDH1A1 (0.35) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2832800 0.87 MEN1 (0.41) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2833403 0.87 ALDH1A1 (0.40) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2835781 0.86 ALDH1A1 (0.33) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2832552 0.86 MEN1 (0.34) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2832715 0.85 TP53 (0.38) MAPTMEN1KMT2ATP53HPGD
SCHEMBL2832486 0.85 ALDH1A1 (0.38) MAPTMEN1KMT2ATP53HPGD

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