SCHEMBL2829938

SCHEMBL2829938

CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)CC(C)(C)C)c(OCCOCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCOCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.35
GLA P06280 1/20 0.33
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 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
SCHEMBL2834208 0.90 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2831552 0.90 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2830492 0.90 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2833371 0.89 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2831808 0.88 SMN1; SMN2 (0.41) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2833471 0.86 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2829933 0.85 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2833558 0.85 TP53 (0.34) TSHRSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL2831171 0.85 TP53 (0.34) TSHRSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL2836571 0.84 ALDH1A1 (0.34) TSHRSMN1; SMN2ALDH1A1TP53MAPT

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