SCHEMBL3693113

SCHEMBL3693113

C=CCCC(N)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.48
OPRM1 P35372 1/20 0.44
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
SPHK1 Q9NYA1 1/20 0.38
TP53 P04637 1/20 0.36
LAP3 P28838 1/20 0.36
PLA2G2C Q5R387 1/20 0.36

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
SCHEMBL3693109 1.00 TSHR (0.50) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL621783 0.93 TSHR (0.50) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL9979412 0.89 TSHR (0.67) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL3670005 0.89 TSHR (0.67) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL11764042 0.89 TSHR (0.67) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL5596749 0.89 TSHR (0.60) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL31035758 0.89 TSHR (0.67) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL8430095 0.89 TSHR (0.67) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL27559837 0.87 TSHR (0.56) TSHRALDH1A1OPRM1S1PR2S1PR1
SCHEMBL28532183 0.85 TSHR (0.60) TSHRALDH1A1OPRM1S1PR2S1PR1

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-20100298504-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-11-25 US disclosed