SCHEMBL6131760

SCHEMBL6131760

CC(C)(C)c1[c]cccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2A6 P11509 1/20 0.33
KIF11 P52732 1/20 0.32
HTR7 P34969 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL3539990 0.96 ALDH1A1 (0.35) PTGS2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11559173 0.80 ALDH1A1 (0.37) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL18393964 0.77 KIF11 (0.45) ALDH1A1KIF11HTR7CASP3SENP8
SCHEMBL455371 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL7752087 0.76 ALDH1A1 (0.38) ALDH1A1KIF11
SCHEMBL10623223 0.75 PTGS2 (0.38) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL12817155 0.74 ADORA3 (0.30) MEN1KMT2ASMN1; SMN2
SCHEMBL8595494 0.74 PLK1 (0.35) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL8529551 0.74 KIF11 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2KIF11
SCHEMBL4621655 0.72 ALDH1A1 (0.39) PTGS2ALDH1A1HSD17B10MEN1KMT2A

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-1525629-A2 OPTOELECTRONIC DEVICES Qinetiq Limited (GB) 2005-04-27 EP disclosed
WO-2004013921-A2 OPTOELECTRONIC DEVICES QINETIQ LIMITED (GB) 2004-02-12 WO disclosed