SCHEMBL13680706

SCHEMBL13680706

CC(=O)Cc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
PRNP P04156 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DDAH1 O94760 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 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
SCHEMBL13680604 0.78 GSK3B (0.42) ALDH1A1HPGDSMN1; SMN2LMNAGSK3B
SCHEMBL23197679 0.77 TDP1 (0.56) NQO2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13680452 0.77 GSK3B (0.61) NQO2ALDH1A1HPGDSMN1; SMN2GSK3B
SCHEMBL17778297 0.76 NQO2 (0.47) NQO2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13681009 0.74 ALDH1A1 (0.46) NQO2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13680605 0.74 HRH3 (0.50) NQO2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8403545 0.74 POLB (0.61) ALDH1A1HPGDLMNAPOLBKMT2A
SCHEMBL13680465 0.73 GSK3B (0.61) NQO2ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL13680461 0.72 SMN1; SMN2 (0.60) NQO2ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL13680520 0.72 LMNA (0.53) NQO2ALDH1A1HPGDSMN1; SMN2LMNA

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed