SCHEMBL1532983

SCHEMBL1532983

CCCCCCCCCCCCN(CCCCCC)CC(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.41
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GGPS1 O95749 3/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 5/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4286132 0.92 PLA2G1B (0.46) DNM1PLA2G1BPLA2G2AKCNH2
SCHEMBL9163925 0.75 DNM1 (0.52) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL10712988 0.75 DNM1 (0.52) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL10411256 0.75 DNM1 (0.52) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL25278830 0.73 DNM1 (0.44) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL4448024 0.73 DNM1 (0.44) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL22354437 0.73 PLA2G1B (0.47) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL25240070 0.73 DNM1 (0.44) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL24187667 0.72 DNM1 (0.61) DNM1PLA2G1BPLA2G2ATSHRTHRB
SCHEMBL11791423 0.72 DNM1 (0.61) DNM1PLA2G1BPLA2G2ATSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2293670-B1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT ARCH CHEM INC (US) 2016-03-30 EP disclosed
EP-2293670-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT Arch Chemicals, Inc. (US) 2011-03-16 EP disclosed
WO-2009148794-A1 COMPOSITIONS AND METHODS FOR NAIL FUNGUS TREATMENT ARCH CHEMICALS, INC. (US) 2009-12-10 WO disclosed
US-20090298805-A1 TOPICAL PYRITHIONE COMPOSITIONS AND METHODS FOR TREATMENT OF NAIL FUNGUS ARCH CHEMICALS, INC. 2009-12-03 US disclosed