SCHEMBL8102548

SCHEMBL8102548

CCCC1CCC(c2ccc(C(CCC)c3ccc(N)cc3)cc2)(c2ccc(C(CCC)c3ccc(N)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 10/20 0.36
NFE2L2 Q16236 1/20 0.35
OPRD1 P41143 1/20 0.31
OPRK1 P41145 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
SCHEMBL8102098 0.92 CYP1A2 (0.38) ALDH1A1L3MBTL1CYP19A1NFE2L2
SCHEMBL8096645 0.92 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP19A1NFE2L2
SCHEMBL8095487 0.92 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1OPRD1OPRK1
SCHEMBL8096480 0.91 CYP19A1 (0.38) ALDH1A1L3MBTL1CYP19A1NFE2L2
SCHEMBL8100170 0.91 CYP19A1 (0.38) ALDH1A1L3MBTL1CYP19A1NFE2L2OPRD1
SCHEMBL8096073 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP19A1NFE2L2
SCHEMBL8085491 0.90 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1NFE2L2OPRD1
SCHEMBL8102238 0.90 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1NFE2L2OPRD1
SCHEMBL8102372 0.90 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1NFE2L2OPRD1
SCHEMBL8087535 0.90 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP19A1NFE2L2OPRD1

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