SCHEMBL1884965

SCHEMBL1884965

CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.ClCCCCCCCCCCCCl

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
ALDH1A1 P00352 1/20 0.63
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
DNM1 Q05193 3/20 0.38
KCNH2 Q12809 1/20 0.37
THRB P10828 1/20 0.37
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 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
SCHEMBL1885053 1.00 TSHR (0.63) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL1879456 1.00 TSHR (0.63) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL6945510 0.97 TSHR (0.60) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL6061703 0.97 TSHR (0.58) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL6946256 0.94 TSHR (0.55) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL1883604 0.92 TSHR (0.68) TSHRALDH1A1TDP1LMNADNM1
SCHEMBL28337020 0.92 TSHR (0.68) TSHRALDH1A1TDP1LMNADNM1
SCHEMBL1885691 0.92 TSHR (0.68) TSHRALDH1A1TDP1LMNADNM1
SCHEMBL282416 0.92 TSHR (0.56) TSHRALDH1A1TDP1MAPTLMNA
Bromide SCHEMBL8490443 0.90 TSHR (0.65) TSHRALDH1A1TDP1DNM1KCNH2

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-7947854-B2 Phospholipase inhibitor; prevention or therapy of microbial infection; bactericides; fungicides; viricides; parasiticides; using quaternary or phosphonium group containing compounds THE UNIVERSITY OF SYDNEY (AU) 2011-05-24 US disclosed