SCHEMBL8095487

SCHEMBL8095487

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 17/20 0.37
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11A1 P05108 1/20 0.31
CYP3A4 P08684 1/20 0.31
TBXAS1 P24557 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 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
SCHEMBL8094282 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8102548 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8086643 0.91 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8102098 0.90 CYP1A2 (0.38) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8087146 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8093098 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8094461 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8093882 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8093750 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8093335 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1

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