SCHEMBL7732901

SCHEMBL7732901

[CH]1CCCCCCCC(c2cccc3cc4ccccc4cc23)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.32
KMO O15229 1/20 0.32
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.31
FAAH O00519 1/20 0.31
MTNR1A P48039 2/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ACACB O00763 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4721556 0.86 DRD2 (0.40) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL4722085 0.84 DRD2 (0.41) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL27849970 0.81 ALDH1A1 (0.39) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL4723104 0.81 SLC6A4 (0.41) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL29266777 0.80 ALDH1A1 (0.38) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL7648327 0.80 SLC6A4 (0.44) DRD2SLC6A4HRH3KDM4EALDH1A1
SCHEMBL4723997 0.77 SLC6A4 (0.42) CYP1B1DRD2SLC6A4HRH3KDM4E
SCHEMBL7733302 0.76 KDM4E (0.33) KDM4EALDH1A1GAAEPHX1
SCHEMBL27993838 0.76 PTPN5 (0.39) CYP1B1DRD2SLC6A4KDM4EALDH1A1
SCHEMBL7739428 0.74 ATM (0.39) ALDH1A1EPHX1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed