SCHEMBL2836571

SCHEMBL2836571

CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)CC(C)(C)C)c(OCCCCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCCCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2831171 0.96 TP53 (0.34) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2833558 0.93 TP53 (0.34) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2832715 0.89 TP53 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2829263 0.89 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2832776 0.89 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2832486 0.89 ALDH1A1 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2831160 0.87 CYP3A4 (0.41) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2833371 0.85 ALDH1A1 (0.43) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2833400 0.85 TP53 (0.38) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2829825 0.85 MEN1 (0.34) ALDH1A1TP53TSHRMAPTHPGD

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