SCHEMBL9503342

SCHEMBL9503342

CCCC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.50
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MYOC Q99972 1/20 0.44
PTGS2 P35354 2/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9503446 0.89 MGLL (0.48) HSPB1BCL9CTNNB1ALDH1A1MAPK1
SCHEMBL15055286 0.81 NPC1 (0.58) HSPB1BCL9CTNNB1ALDH1A1MAPK1
SCHEMBL9082994 0.80 HSPB1 (0.59) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL15279922 0.80 HSPB1 (0.59) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL9497275 0.80 HSPB1 (0.59) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL4670068 0.80 HSPB1 (0.59) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL22540967 0.77 ALDH1A1 (0.47) BCL9CTNNB1ALDH1A1MAPK1HSD17B10
SCHEMBL4670457 0.77 HSPB1 (0.51) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL4787853 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10POLBMEN1
SCHEMBL19387672 0.76 BCL9 (0.50) HSPB1BCL9CTNNB1ALDH1A1MAPK1

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
EP-0282254-B1 DIAMINO COMPOUNDS AND LIQUID CRYSTAL ALIGNING FILMS CHISSO CORPORATION (JP) 1993-06-16 EP disclosed
US-5084557-A Polyimides based on a 2,2-bis/p-/p-aminophenoxy/phenylalkane; a high pretilt angle for supertwisting nematic mode display cells CHISSO CORPORATION (JP) 1992-01-28 US disclosed
US-4864008-A POLYIMIDE MONOMERS CHISSO CORPORATION (JP) 1989-09-05 US disclosed
EP-0282254-A2 Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1988-09-14 EP disclosed