SCHEMBL1127982

SCHEMBL1127982

C(OC[C@H]1CC[C@@H](COCC2CO2)CC1)C1CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 10/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 4/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.34
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
SPHK2 Q9NRA0 3/20 0.30
SPHK1 Q9NYA1 3/20 0.30

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
SCHEMBL15268272 1.00 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12481795 1.00 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL49884 1.00 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15033887 1.00 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13810709 1.00
SCHEMBL4313163 1.00 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15383241 1.00
SCHEMBL18876490 0.91 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13398781 0.90 TSHR (0.70) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL14427208 0.89 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040046-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME BLUE CUBE IP LLC 2011-02-17 US disclosed
US-20110039982-A1 EPOXY RESINS AND PROCESSES FOR PREPARING THE SAME BLUE CUBE IP LLC 2011-02-17 US disclosed
EP-2283060-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME Dow Global Technologies Inc. (US) 2011-02-16 EP disclosed
WO-2009142898-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed
WO-2009142901-A1 EPOXY RESINS AND PROCESSES FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed