SCHEMBL6996488

SCHEMBL6996488

COCCCCCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
NAAA Q02083 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
HTR2C P28335 1/20 0.34
HSPE1 P61604 1/20 0.34

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
SCHEMBL7001939 1.00 TDP1 (0.39) TDP1L3MBTL1KDM4ELMNANAAA
SCHEMBL7002413 0.98 L3MBTL1 (0.37) TDP1L3MBTL1KDM4ELMNANAAA
SCHEMBL7003569 0.92 IDO1 (0.38) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL198568 0.83 NR3C1 (0.36) TDP1KDM4ELMNAENPP2
SCHEMBL11690401 0.82 SIGMAR1 (0.41) KDM4ELMNAESR1ADRA2AADORA3
SCHEMBL7297414 0.81 MEN1 (0.36) TDP1L3MBTL1LMNASLC6A2SLC6A4
SCHEMBL16892572 0.81 TDP1 (0.41) TDP1L3MBTL1KDM4ELMNANAAA
SCHEMBL11803736 0.80 MAOA (0.40) L3MBTL1KDM4ELMNAESR1ADRA2A
SCHEMBL16892516 0.79 ALDH1A1 (0.49) TDP1L3MBTL1KDM4ELMNAESR1
SCHEMBL16892535 0.79 ALDH1A1 (0.49) KDM4ELMNAESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed