SCHEMBL2829431

SCHEMBL2829431

CCCCC(CC)Cc1cc(C2CCC(c3ccc(OCC4CO4)cc3)CC2)ccc1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
PPARG P37231 8/20 0.37
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL2829237 0.88 ALDH1A1 (0.40) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2829583 0.88 ALDH1A1 (0.41) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2824456 0.85 ALDH1A1 (0.44) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2719170 0.85 PPARG (0.41) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2718341 0.84 PPARG (0.40) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2824316 0.84 ALDH1A1 (0.35) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2720452 0.83 SPHK1 (0.40) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2829086 0.83 SPHK1 (0.40) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2830461 0.83 SPHK1 (0.40) ALDH1A1PPARGTP53TSHRMAPT
SCHEMBL2717530 0.83 PPARG (0.43) ALDH1A1PPARGTP53TSHRMAPT

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