SCHEMBL8099461

SCHEMBL8099461

CCCCCC(c1ccc(C2(c3ccc(C(CCCCC)c4ccc(N)cc4C)cc3)CCCCC2)cc1)c1ccc(N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PPARA Q07869 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 2/20 0.32
ALOX12 P18054 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 6/20 0.32
ACHE P22303 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL8092490 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8096244 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8094054 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8093728 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8095906 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8086175 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8100840 0.97 ALDH1A1 (0.43) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8099284 0.92 ALDH1A1 (0.45) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8086250 0.88 ALDH1A1 (0.49) ALDH1A1L3MBTL1SLC6A4SLC6A3PPARA
SCHEMBL8094030 0.88 CYP19A1 (0.32) 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