SCHEMBL2829924

SCHEMBL2829924

CCCCCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CCCCC)c(OCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 9/20 0.33
GLA P06280 1/20 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
SCHEMBL2833373 0.91 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2833403 0.88 ALDH1A1 (0.40) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2831923 0.88 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2831258 0.87 ALDH1A1 (0.37) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2832899 0.87 ALDH1A1 (0.37) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2832716 0.86 ALDH1A1 (0.42) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2829236 0.85 ALDH1A1 (0.51) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2829921 0.84 ALDH1A1 (0.50) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2836705 0.82 CNR2 (0.32) CNR1CNR2
SCHEMBL2829933 0.81 ALDH1A1 (0.47) 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