Benz(B)Anthracene

Benz(B)Anthracene

SCHEMBL9710284

CC(C)[C@H](N)C(=O)O.c1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.58

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
SLC1A3 P43003 4/20 0.45
SLC1A2 P43004 4/20 0.45
SLC1A1 P43005 3/20 0.45
EPHX1 P07099 1/20 0.41
IDO1 P14902 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR1I2 O75469 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC15A1 P46059 1/20 0.39

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
Valine SCHEMBL8606825 0.88 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1EPHX1
Valine SCHEMBL8520140 0.82 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Anthracene SCHEMBL29064584 0.82 EPHX1 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1EPHX1
Biphenyl SCHEMBL2494151 0.82 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1
Biphenyl SCHEMBL27824248 0.82 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL11319001 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Valine SCHEMBL28052598 0.81 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1NR1I2
Valine SCHEMBL4582565 0.81 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1NR1I2
Phenazine SCHEMBL28881744 0.81 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Valine SCHEMBL5479272 0.80 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1NR1I2

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-5158829-A Electroactive ultra-thin layers CIBA-GEIGY CORPORATION (US) 1992-10-27 US disclosed
US-5108841-A Tetrathio or tetraseleno tetracene derivatives; electronics CIBA-GEIGY CORPORATION (US) 1992-04-28 US disclosed