SCHEMBL8100366

SCHEMBL8100366

CC1CCC(c2ccc(C(C)c3ccc(N)cc3)cc2)(c2ccc(C(C)c3ccc(N)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 11/20 0.36
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32
NSD2 O96028 1/20 0.32
ESR1 P03372 1/20 0.31
PDCD1 Q15116 1/20 0.31
ESR2 Q92731 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL2997525 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1CYP19A1LMNANSD2
SCHEMBL8094242 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8098993 0.83 ALDH1A1 (0.34) ALDH1A1L3MBTL1HTT
SCHEMBL8096578 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP19A1CYP2D6
SCHEMBL8095670 0.81 ALDH1A1 (0.71) ALDH1A1L3MBTL1CYP19A1CYP2D6LMNA
SCHEMBL8098705 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL8086686 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP19A1
SCHEMBL1305916 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP19A1
SCHEMBL1305036 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP19A1LMNA
SCHEMBL8093724 0.79 ALDH1A1 (0.38) 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