SCHEMBL2927896

SCHEMBL2927896

CCCCCCc1c(C=O)ccc(CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR84 Q9NQS5 1/20 0.36
CTRC Q99895 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 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
SCHEMBL9810574 0.89 HIF1A (0.49) HIF1AEPAS1LIPGMEN1TP53
SCHEMBL5443240 0.85 HIF1A (0.39) TYRHIF1AEPAS1LIPGMEN1
SCHEMBL5725315 0.85 HIF1A (0.39) TYRHIF1AEPAS1LIPGMEN1
SCHEMBL28311605 0.84 TYR (0.41) TYRHIF1AEPAS1LIPGMEN1
SCHEMBL28690662 0.83 LIPG (0.49) HIF1AEPAS1LIPGMAPTALOX15
SCHEMBL28861107 0.83 LIPG (0.49) HIF1AEPAS1LIPGMAPTALOX15
SCHEMBL3362755 0.82 TYR (0.38) TYRHIF1AEPAS1LIPGMEN1
SCHEMBL7571565 0.82 TYR (0.57) TYRHIF1ALIPGMEN1TP53
SCHEMBL11328017 0.82 TYR (0.57) TYRHIF1ALIPGMEN1TP53
SCHEMBL10608218 0.82 TYR (0.57) TYRHIF1ALIPGMEN1TP53

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
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed