SCHEMBL8096578

SCHEMBL8096578

CCC(c1ccc(N)cc1)c1ccc(C2(c3ccc(C(CC)c4ccc(N)cc4)cc3)CCC(C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 14/20 0.35
CYP3A4 P08684 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11A1 P05108 1/20 0.32
TBXAS1 P24557 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
NFKB1 P19838 1/20 0.32
PDE4A P27815 1/20 0.32
CYP2D6 P10635 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
SCHEMBL8098705 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8100939 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP19A1CYP3A4CYP17A1
SCHEMBL8101595 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8096055 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL8093186 0.85 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8096073 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8095015 0.84 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8094809 0.84 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8087518 0.84 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8096351 0.84 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1

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