SCHEMBL5679142

SCHEMBL5679142

C=CC(CC)OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
THRB P10828 1/20 0.33
USP2 O75604 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
SCHEMBL14325106 1.00 DNM1 (0.44) DNM1TSHRALDH1A1CNR1CNR2
SCHEMBL12276622 0.98 DNM1 (0.41) DNM1TSHRALDH1A1CNR1CNR2
SCHEMBL28042753 0.86 DNM1 (0.42) DNM1TSHRALDH1A1CNR1CNR2
SCHEMBL8945762 0.86 DNM1 (0.42) DNM1TSHRALDH1A1CNR1CNR2
SCHEMBL14890429 0.82
SCHEMBL1142866 0.82 DNM1 (0.38) DNM1TSHR
SCHEMBL1142556 0.82 DNM1 (0.38) DNM1TSHR
SCHEMBL1142189 0.82 DNM1 (0.38) DNM1TSHR
SCHEMBL129857 0.82 ALDH1A1 (0.46) DNM1TSHRALDH1A1CNR1CNR2
SCHEMBL1142446 0.82 DNM1 (0.38) DNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132516-B2 Mono-or bisazo copper complex dyestuffs CLARIANT FINANCE (BVI) LIMITED (VG) 2006-11-07 US claimed
EP-1472317-B1 MONO- OR BISAZO COPPER COMPLEX DYESTUFFS CLARIANT FINANCE BVI LTD (VG) 2006-03-22 EP claimed
US-20050020822-A1 Mono-or bisazo copper complex dyestuffs CLARIANT FINANCE (BVI) LIMITED (VG) 2005-01-27 US claimed
EP-1472317-A1 MONO- OR BISAZO COPPER COMPLEX DYESTUFFS Clariant International Ltd. (CH) 2004-11-03 EP claimed
WO-2003064537-A1 MONO- OR BISAZO COPPER COMPLEX DYESTUFFS CLARIANT INTERNATIONAL LTD (CH) 2003-08-07 WO claimed