SCHEMBL8963296

SCHEMBL8963296

CC[CH]OC(C)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
SLC6A4 P31645 1/20 0.35
LTA4H P09960 1/20 0.34
MAOA P21397 2/20 0.34
PTGS1 P23219 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL352588 0.78 KDM4E (0.42) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL542873 0.76 KDM4E (0.50) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL3104291 0.76 KDM4E (0.41) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL3364531 0.76 KDM4E (0.41) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL997422 0.74 LMNA (0.46) KDM4EMTNR1AMTNR1BLMNASLC6A4
SCHEMBL9316517 0.72 MTNR1A (0.40) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL4924896 0.72 HCAR2 (0.41) LMNAADRA2AADRA2BADRA2C
SCHEMBL9296320 0.72 KDM4E (0.47) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL29159322 0.72 KDM4E (0.47) KDM4EMTNR1AMTNR1BLMNAPOLB
Methylamine SCHEMBL10763289 0.72 KDM4E (0.47) KDM4EMTNR1AMTNR1BLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560751-A CYCLIZATION OF AMIDO-THIOAMIDE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1985-12-24 US claimed
US-4167394-A MONOAZO DYES HAVING INDOLE OR PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1979-09-11 US claimed
EP-0463995-B1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
US-5196521-A Colorfastness; red; polyesters CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
EP-0463995-A1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
EP-0100018-B1 PROCESS FOR THE PRODUCTION OF 2-N,N-DISUBSTITUTED AMINOTHIAZOLES BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
US-4560751-A CYCLIZATION OF AMIDO-THIOAMIDE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1985-12-24 US disclosed
EP-0100018-A1 Process for the production of 2-N,N-disubstituted aminothiazoles BASF Aktiengesellschaft (DE) 1984-02-08 EP disclosed
US-4167394-A MONOAZO DYES HAVING INDOLE OR PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4154577-A Uniformly disperse dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed
US-4083686-A AZO DYES, WASHFASTNESS, PHOTOSTABILITY, SOLVENT RESISTANCE BASF AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed