SCHEMBL8981682

SCHEMBL8981682

c1ccc(CCOc2cccc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
GPR84 Q9NQS5 1/20 0.66
KCNA3 P22001 1/20 0.64
HTR1B P28222 11/20 0.62
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
HTR1D P28221 3/20 0.60
SLC6A4 P31645 2/20 0.56
HRH1 P35367 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
Trimethylammonium SCHEMBL4727981 0.93 HTR1B (0.67) KMT2AGPR84KCNA3HTR1BCNR1
SCHEMBL9613825 0.91 KMT2A (0.72) KMT2AGPR84KCNA3HTR1BCNR1
SCHEMBL30600095 0.91 KMT2A (0.72) KMT2AGPR84KCNA3HTR1BCNR1
SCHEMBL17912810 0.84 CNR1 (0.60) KMT2AGPR84CNR1CNR2
SCHEMBL5289923 0.84 HTR1B (0.77) KMT2AKCNA3HTR1BHTR1DSLC6A4
SCHEMBL2177350 0.82 HTR1B (0.78) KMT2AKCNA3HTR1BHTR1DSLC6A4
SCHEMBL9770352 0.82 KCNA3 (0.81) KMT2AKCNA3HTR1BHTR1DSLC6A4
SCHEMBL17912813 0.82 CYP11B1 (0.56) SLC6A4KDM4E
SCHEMBL27629 0.81 MRGPRX4 (0.67) KMT2AKCNA3HTR1BHTR1DKDM4E
SCHEMBL29568609 0.81 MRGPRX4 (0.67) KMT2AKCNA3HTR1BHTR1DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420747-A Synthetic method for olefin compounds SUZHOU OST ADVANCED MATERIALS CO LTD 2013-12-04 CN claimed
US-4493884-A O-NAPHTHOQUINONEDIAZIDE AND AROMATIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1985-01-15 US claimed
CN-103420747-A Synthetic method for olefin compounds SUZHOU OST ADVANCED MATERIALS CO LTD 2013-12-04 CN disclosed
US-5516577-A Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 1996-05-14 US disclosed
US-5503910-A HAVING LIGHT EMITTING LAYERS CONTAINING COMPOUNDS WITH SPECIFIED FLUORESCENCE PEAK WAVELENGTHS; EFFICIENCY, STABILITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-02 US disclosed
EP-0569827-A2 Organic electroluminescence device IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-11-18 EP disclosed
US-4493884-A O-NAPHTHOQUINONEDIAZIDE AND AROMATIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1985-01-15 US disclosed