SCHEMBL8095906

SCHEMBL8095906

CCCCCCCCCCC(c1ccc(C2(c3ccc(C(CCCCCCCCCC)c4ccc(N)cc4C)cc3)CCCCC2)cc1)c1ccc(N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PPARA Q07869 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP19A1 P11511 7/20 0.33
LMNA P02545 2/20 0.32
ALOX12 P18054 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL8096244 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8086175 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8094054 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8092490 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8093728 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8099461 0.99 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8100840 0.95 ALDH1A1 (0.43) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8099284 0.91 ALDH1A1 (0.45) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8086327 0.88 CYP19A1 (0.33) SLC6A4SLC6A3CYP19A1
SCHEMBL8094960 0.88 CYP19A1 (0.33) SLC6A4SLC6A3CYP19A1

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5807961-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element using the formers CHISSO CORPORATION (JP) 1998-09-15 US disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed