SCHEMBL8095438

SCHEMBL8095438

CCCC(CC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
AOC3 Q16853 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PBRM1 Q86U86 1/20 0.40
RIPK1 Q13546 1/20 0.39
HRH1 P35367 5/20 0.39
HTR2A P28223 4/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MIF P14174 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37

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
SCHEMBL8086502 0.90 ALDH1A1 (0.49) LMNAAOC3KDM4EALDH1A1PBRM1
SCHEMBL8101789 0.88 LMNA (0.52) LMNAAOC3PBRM1HRH1HTR2A
SCHEMBL8096631 0.88 LMNA (0.45) LMNAKDM4EALDH1A1HTR2ASIGMAR1
SCHEMBL9099644 0.85 LMNA (0.47) LMNAAOC3KDM4EALDH1A1PBRM1
SCHEMBL3646327 0.83 TAAR1 (0.48) LMNAAOC3PBRM1HRH1HTR2A
Phosphonic Acid SCHEMBL9264939 0.82 ALDH1A1 (0.47) LMNAKDM4EALDH1A1
Diethylamine SCHEMBL11106466 0.82 ALDH1A1 (0.50) LMNAAOC3KDM4EALDH1A1HRH1
SCHEMBL7914382 0.81 AOC3 (0.58) LMNAAOC3KDM4EALDH1A1HTR2A
SCHEMBL10238609 0.80 LMNA (0.50) LMNAAOC3PBRM1RIPK1HKDC1
SCHEMBL15987557 0.78 ESR1 (0.54) LMNAKDM4EALDH1A1TSHRTAAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114606519-B Olefin hydroalkylation reaction method based on electrochemical means and CuX catalysis 天津理工大学 2024-05-28 CN disclosed
CN-114606519-A Olefin hydroalkylation reaction method based on electrochemical means and CuX catalysis 天津理工大学 2022-06-10 CN disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP 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