SCHEMBL5857249

SCHEMBL5857249

C=COCCCCOC(=O)/C=C/C(=O)OCCCCOC=C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.56
ATM Q13315 1/20 0.54
HCAR2 Q8TDS4 6/20 0.50
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
APP P05067 5/20 0.34

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
SCHEMBL9185807 1.00 TSHR (0.56) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL5857260 1.00 TSHR (0.56) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL8736969 0.91 ATM (0.55) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL8736966 0.91 ATM (0.55) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL2456633 0.87 TSHR (0.75) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL4626289 0.86 TSHR (0.48) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL18823427 0.85 TSHR (0.79) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL2456155 0.85 TSHR (0.79) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL18823424 0.85 TSHR (0.79) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL18822946 0.85 TSHR (0.79) TSHRALDH1A1CYP3A4ATMHCAR2

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-7038076-B2 Fumarate derivative, method for producing the same SHOWA DENKO K.K. (JP) 2006-05-02 US disclosed
EP-1301461-A2 FUMARATE DERIVATIVE, METHOD FOR PRODUCING THE SAME Showa Denko K.K. (JP) 2003-04-16 EP disclosed
US-20030060563-A1 Fumarate derivative, method for producing the same SHOWA DENKO K.K. (JP) 2003-03-27 US disclosed
US-6376702-B1 A 1-ALKENYL ETHER SHOWA DENKO K.K. (JP) 2002-04-23 US disclosed
WO-2002006206-A2 FUMARATE DERIVATIVE, METHOD FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2002-01-24 WO disclosed