SCHEMBL405537

SCHEMBL405537

CCCCCCCCCCCCCCCCCCNCC(N)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.59
ERAP2 Q6P179 1/20 0.59
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
EPHX1 P07099 5/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
RRM1 P23921 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39

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
Bromide SCHEMBL28304531 0.89 ANPEP (0.47) ANPEPERAP2ALDH1A1TSHRSPHK1
SCHEMBL10798482 0.83 ANPEP (0.56) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL29153566 0.82 ANPEP (0.58) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL29153553 0.82 ANPEP (0.58) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL1685867 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL10980335 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8073304 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL6727152 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL3974540 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8382691 0.82 TSHR (0.55) ANPEPERAP2ALDH1A1TSHRS1PR2

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-20120018387-A1 METHOD FOR CONTROLLING WATER EVAPORATION POLYMERS CRC LTD (AU) 2012-01-26 US disclosed
EP-2376219-A1 METHOD FOR CONTROLLING WATER EVAPORATION Polymers CRC Limited (AU) 2011-10-19 EP disclosed