SCHEMBL1476827

SCHEMBL1476827

CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
LMNA P02545 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP3A4 P08684 4/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 3/20 0.45
USP2 O75604 2/20 0.45
TP53 P04637 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
CACNA1F O60840 1/20 0.45
SLC22A3 O75751 1/20 0.45
NSD2 O96028 1/20 0.45

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
SCHEMBL1898463 0.92 MEN1 (0.46) CYP19A1LMNAMEN1KMT2ACYP3A4
SCHEMBL29425649 0.83 ALDH1A1 (0.45) LMNAMEN1KMT2ACYP3A4MAPK1
SCHEMBL2339098 0.83 ALDH1A1 (0.45) LMNAMEN1KMT2ACYP3A4MAPK1
SCHEMBL4190910 0.80 TSHR (0.38) CYP19A1LMNAMEN1KMT2ACYP3A4
SCHEMBL23349795 0.80 ALDH1A1 (0.39) LMNAMEN1KMT2ACYP3A4HTT
SCHEMBL15605846 0.78 BRCA1 (0.42) LMNAMEN1KMT2ACYP3A4MAPK1
SCHEMBL5605880 0.78 MAPT (0.44) LMNAMEN1KMT2ACYP3A4MAPK1
SCHEMBL17732422 0.78 CYP19A1 (0.73) CYP19A1LMNAMEN1KMT2ACYP3A4
SCHEMBL19135947 0.77 MEN1 (0.45) LMNAMEN1KMT2ACYP3A4MAPK1
SCHEMBL14843485 0.77 MEN1 (0.42) LMNAMEN1KMT2ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915048-B2 Adding 1,4-di-(2-ethylhexylamino)-5,8-dihydroxyanthraquinone-type dyes to liquid petroleum; combination of dyes for digitally coding/marking petroleum products; near-infrared absorption ROHM AND HAAS COMPANY (US) 2011-03-29 US disclosed
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-1486554-B1 Method for marking hydrocarbons with substituted anthraquinones ROHM & HAAS (US) 2009-11-04 EP 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
US-20040250469-A1 Method for marking hydrocarbons with substituted anthraquinones ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1486554-A1 Method for marking hydrocarbons with substituted anthraquinones Rohm and Haas Company (US) 2004-12-15 EP disclosed