SCHEMBL18155288

SCHEMBL18155288

COC(=O)CCCC(C)(C)C#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 2/20 0.33
PTPRB P23467 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL28593227 0.94 TSHR (0.50) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL15159952 0.88 TSHR (0.48) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL5503646 0.81 CYP1A2 (0.48) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL12602895 0.78 LMNA (0.42) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL1908797 0.77 TSHR (0.64) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL28642072 0.77 CYP1A2 (0.47) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL12602896 0.76 GAA (0.42) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL13079905 0.75 TSHR (0.40) TSHRLMNAALDH1A1RECQLKMT2A
Hydrochloric Acid SCHEMBL27984675 0.75 TSHR (0.61) TSHRLMNAALDH1A1RECQLKMT2A
Acetonitrile SCHEMBL4786430 0.74 TSHR (0.75) TSHRLMNAALDH1A1RECQLKMT2A

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-9470995-B2 Compound having azo skeleton and pigment dispersant, pigment composition, pigment dispersion, and toner containing the compound CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed