SCHEMBL7900253

SCHEMBL7900253

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc4c(-c5ccccc5-c5ccccc5)c5ccccc5c(-c5ccccc5-c5ccccc5)c4cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL261327 0.90 ALDH1A1 (0.44) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL4826724 0.90 ALDH1A1 (0.44) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL29370611 0.89 ESR1 (0.47) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL7900283 0.89 ESR1 (0.47) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL2966882 0.89 GPR84 (0.40) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL25957743 0.88 ACHE (0.45) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL2293453 0.86 ALDH1A1 (0.43) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL3034568 0.86 ACHE (0.43) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL5442446 0.86 ACHE (0.43) GPR84BACE1ALDH1A1HPGDHSD17B10
SCHEMBL11993617 0.84 GPR84 (0.37) GPR84BACE1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6203933-B1 ELECTROLUMINESCENT ELEMENT WITH LIGHT EMITTER LAYER AND HOLE INJECTING AND TRANSPORTATING COMPOUND TDK CORPORATION (JP) 2001-03-20 US disclosed