SCHEMBL17728702

SCHEMBL17728702

C=CCCCCCCCCC(Br)CCCCCCCCC=C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.39
ABCC4 O15439 1/20 0.39
ALDH1A1 P00352 5/20 0.38
USP2 O75604 5/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPA1 O75762 3/20 0.37
LMNA P02545 3/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
TDP1 Q9NUW8 2/20 0.31
RECQL P46063 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
SCHEMBL2703184 0.95 TSHR (0.42) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL2138880 0.92 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL28975660 0.89 TSHR (0.67) TSHRMAPTALDH1A1USP2HPGD
SCHEMBL11042961 0.89 TSHR (0.54) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL11040148 0.89 TSHR (0.60) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL30319223 0.88 TSHR (0.41) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL27805563 0.86 TSHR (0.50) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL2774680 0.86 TSHR (0.50) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL19096412 0.85 TSHR (0.37) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL7984695 0.84 TSHR (0.46) TSHRMAPTABCC4ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724686-B2 Sulfonated polyethylene UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-08-08 US disclosed
US-20160129436-A1 Sulfonated Polyethylene UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-05-12 US disclosed