SCHEMBL9837636

SCHEMBL9837636

C=Cc1ccccc1C=C.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 6/20 0.54
CYP1A2 P05177 4/20 0.54
HPGD P15428 3/20 0.54
THRB P10828 1/20 0.54
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
TSHR P16473 5/20 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
SCHEMBL29381588 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2054027 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29891066 0.85 HSD17B10 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL16487171 0.85 HSD17B10 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL28814531 0.84 HSD17B10 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL6863260 0.83 SIRT2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDACHE
SCHEMBL29357296 0.83 SIRT2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDACHE
SCHEMBL31610342 0.83 SIRT2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDACHE
SCHEMBL14912 0.83 SIRT2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDACHE
SCHEMBL31192241 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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
EP-0200107-B1 PROCESS FOR THE IMMOBILIZATION OF DISSOLVED PROTEINS RÖHM GMBH (DE) 1991-10-16 EP disclosed
EP-0200107-A2 Process for the immobilization of dissolved proteins RÖHM GMBH (DE) 1986-11-05 EP disclosed