SCHEMBL2828964

SCHEMBL2828964

CCCCCC(C)(C)c1cc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)ccc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
PKM P14618 2/20 0.39
VDR P11473 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
GLA P06280 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.35

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
SCHEMBL2828653 0.91 ALDH1A1 (0.43) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2827466 0.90 ALDH1A1 (0.42) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2720646 0.87 MEN1 (0.52) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2827162 0.86 ALDH1A1 (0.43) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2829144 0.86 ALDH1A1 (0.43) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2828963 0.86 ALDH1A1 (0.51) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2829578 0.84 ALDH1A1 (0.41) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2825713 0.83 TP53 (0.36) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2827501 0.83 TP53 (0.36) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL2719651 0.83 ALDH1A1 (0.56) ALDH1A1TP53TSHRMEN1KMT2A

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 4 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
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed