SCHEMBL4190910

SCHEMBL4190910

CCCCC(CC)CNc1c(C#N)c(C#N)c(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 3/20 0.35
LMNA P02545 4/20 0.34
CYP19A1 P11511 1/20 0.33
IGFBP3 P17936 1/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL10718098 0.81 CYP19A1 (0.44) HTTL3MBTL1ALDH1A1KDM4ECYP3A4
SCHEMBL1476827 0.80 CYP19A1 (0.50) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL1898463 0.74 MEN1 (0.46) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL15603984 0.69 ALDH1A1 (0.42) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL15605846 0.68 BRCA1 (0.42) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL1478293 0.67 ALDH1A1 (0.51) HTTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL5605880 0.65 MAPT (0.44) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL29425649 0.64 ALDH1A1 (0.45) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL2339098 0.64 ALDH1A1 (0.45) TSHRHTTL3MBTL1GLAALDH1A1
SCHEMBL1812493 0.64 ALDH1A1 (0.57) TSHRHTTL3MBTL1GLAALDH1A1

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
US-7635596-B2 adding to a lubricating oil a diaminoanhraquinone derivative provided that the compound has at least one substituent selected from among cyano, nitro, hydroxy, hydroxyalkyl, amide, carboxyl, ester and unsaturated alkyl; measuring spectroscopic property of the oil to determine degradation of such compound ROHM AND HAAS COMPANY (US) 2009-12-22 US disclosed
EP-1672052-B1 Method for monitoring degradation of lubricating oils ROHM & HAAS (US) 2009-02-18 EP disclosed
EP-1672052-A1 Method for monitoring degradation of lubricating oils Rohm and Haas Company (US) 2006-06-21 EP disclosed
US-20060128025-A1 adding to a lubricating oil a diaminoanhraquinone derivative provided that the compound has at least one substituent selected from among cyano, nitro, hydroxy, hydroxyalkyl, amide, carboxyl, ester and unsaturated alkyl; measuring spectroscopic property of the oil to determine degradation of such compound ROHM AND HAAS COMPANY 2006-06-15 US disclosed