SCHEMBL4886708

SCHEMBL4886708

C=CC(=O)OCCC(Br)(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.50
THRB P10828 3/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 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
SCHEMBL10609275 0.86 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23214366 0.83 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16939126 0.82 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29871291 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4832680 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9635084 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2741578 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1015244 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22308336 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL676520 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080268545-A1 Method for detecting a target substance UNIVERSAL BIO RESEARCH CO., LTD. (JP) 2008-10-30 US disclosed
EP-1712622-A1 METHOD OF DETECTING TARGET SUBSTANCE Universal Bio Research Co., Ltd. (JP) 2006-10-18 EP disclosed
EP-1712912-A1 REACTION VESSEL UTILIZING ARTICLE HAVING THREE-DIMENSIONALLY ARRANGED PARTICLES AND REACTION APPARATUS Universal Bio Research Co., Ltd. (JP) 2006-10-18 EP disclosed
US-20060073598-A1 Particle complex and method for producing the same UNIVERSAL BIO RESEARCH CO., LTD (JP) 2006-04-06 US disclosed
US-20050282182-A1 Reaction vessel and reaction apparatus comprising three-dimensional particle array UNIVERSAL BIO RESEARCH CO., LTD. (JP) 2005-12-22 US disclosed
EP-1548440-A1 PARTICLE COMPOSITE AND PROCESS FOR PRODUCING PARTICLE COMPOSITE Universal Bio Research Co., Ltd. (JP) 2005-06-29 EP disclosed