SCHEMBL9349999

SCHEMBL9349999

CCC1CCCC(c2cc(C)c(Oc3ccc(N)cc3)c(C)c2)(c2cc(C)c(Oc3ccc(N)cc3)c(C)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 4/20 0.33
TEAD4 Q15561 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
LTA4H P09960 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9353510 0.91 NFE2L2 (0.35) ALDH1A1L3MBTL1NFE2L2SMN1; SMN2CYP19A1
SCHEMBL9353491 0.89 NFE2L2 (0.34) ALDH1A1L3MBTL1NFE2L2SMN1; SMN2CYP19A1
SCHEMBL9353666 0.88 CYP19A1 (0.34) ALDH1A1L3MBTL1NFE2L2SMN1; SMN2CYP19A1
SCHEMBL9349572 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9353564 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9349564 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9353468 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9350038 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9353541 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1
SCHEMBL9350014 0.87 CYP19A1 (0.35) ALDH1A1L3MBTL1NFE2L2CYP19A1

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
EP-0368604-B1 New diamino and dinitro compounds and a process for preparing the diamino compounds CHISSO CORP (JP) 1994-08-31 EP disclosed
US-5008456-A Chemical intermediates for polyamides and polyimides CHISSO CORPORATION (JP) 1991-04-16 US disclosed
EP-0368604-A2 New diamino and dinitro compounds and a process for preparing the diamino compounds CHISSO CORPORATION (JP) 1990-05-16 EP disclosed