SCHEMBL7469356

SCHEMBL7469356

CCCCCCCc1ccc(-c2ccc3oc(C(=O)OCC)cc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
MTOR P42345 1/20 0.47
NOD2 Q9HC29 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 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
SCHEMBL7559460 0.89 RARB (0.48) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7556985 0.87 MAPT (0.48) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7467756 0.86 RARB (0.49) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7461350 0.85 RARB (0.58) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7468384 0.85 RARB (0.51) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL11453883 0.83 ALDH1A1 (0.54) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11446228 0.83 MAPT (0.54) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL3497925 0.82 MAOB (0.60) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11438029 0.81 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11453853 0.79 KDM4E (0.51) MEN1ALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed