SCHEMBL5999912

SCHEMBL5999912

CCCCCCCCn1c2cc(C(=O)O)ccc2c2ccc(-c3ccc4c5ccc(C(=O)O)cc5n(CCCCCCCC)c4c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CNR2 P34972 2/20 0.52
PSEN1 P49768 7/20 0.51
PSEN2 P49810 7/20 0.51
APH1B Q8WW43 7/20 0.51
NCSTN Q92542 7/20 0.51
APH1A Q96BI3 7/20 0.51
PSENEN Q9NZ42 7/20 0.51
PARP1 P09874 1/20 0.50
HCAR3 P49019 1/20 0.48
PTPN11 Q06124 1/20 0.48
RARB P10826 5/20 0.48
METAP2 P50579 1/20 0.47

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
SCHEMBL28818672 0.94 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29677813 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL2804157 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL20842529 0.81 PSEN1 (0.53) KDM4ECNR2PSEN1PSEN2APH1B
SCHEMBL28225833 0.80 ALDH1A1 (0.80) ALDH1A1HPGDKDM4ECNR2
SCHEMBL601808 0.79 CNR2 (0.59) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL600012 0.78 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ECNR2
SCHEMBL12184494 0.78 CNR2 (0.68) ALDH1A1HPGDCNR2PSEN1PSEN2
SCHEMBL600075 0.78 CNR2 (0.72) ALDH1A1HPGDKDM4EHSD17B10CNR2
SCHEMBL28007398 0.77 CNR2 (0.64) CNR2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060073357-A1 Carbazole compounds and use of such compounds in organic electroluminiscent devices KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2006-04-06 US disclosed
EP-1594939-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES Koninklijke Philips Electronics N.V. (NL) 2005-11-16 EP disclosed
WO-2004072205-A2 CARBAZOLE COMPOUNDS AND USE OF SUCH COMPOUNDS IN ORGANIC ELECTROLUMINESCENT DEVICES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-08-26 WO disclosed