SCHEMBL4945281

SCHEMBL4945281

C=CCNCC=C.C=CCOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 5/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 4/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4823985 0.88
SCHEMBL22017 0.88
SCHEMBL28226548 0.88 TSHR (0.50) TSHRALDH1A1THRBMAPTCACNA1B
SCHEMBL6269152 0.88
SCHEMBL8921614 0.88
SCHEMBL1057516 0.88 TSHR (0.50) TSHRALDH1A1THRBMAPTCACNA1B
Acetone SCHEMBL11804126 0.86 TSHR (0.48) TSHRALDH1A1THRBMAPTCACNA1B
Fluoride SCHEMBL8087473 0.86 TSHR (0.48) TSHRALDH1A1THRBMAPTCACNA1B
Ethylene SCHEMBL460398 0.86 TSHR (0.48) TSHRALDH1A1THRBMAPTCACNA1B
Phosphine SCHEMBL6536445 0.86 TSHR (0.48) TSHRALDH1A1THRBMAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045420-A1 Zwitterionic Polymers Comprising Betaine-Type Units And Use Of Zwitterionic Polymers In Drilling Fluids RHODIA CHIMIE (FR) 2008-02-21 US claimed