SCHEMBL13680502

SCHEMBL13680502

CC(=O)Oc1ccc(-c2cccc(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.48
HSD17B10 Q99714 1/20 0.47
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP2A6 P11509 1/20 0.46
ELANE P08246 1/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL13680556 0.86 MEN1 (0.46) RAB9ANPC1MEN1KMT2ACCR1
SCHEMBL13680474 0.83 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL13680475 0.83 RAB9A (0.56) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3422361 0.78 CCR1 (0.75) RAB9AMEN1KMT2AHSD17B10CCR1
SCHEMBL13680472 0.78 CCR1 (0.52) RAB9ANPC1HSD17B10CCR1CCR8
SCHEMBL2614971 0.78 MAPK14 (0.60) RAB9ANPC1MEN1KMT2ACCR1
SCHEMBL4960001 0.77 LMNA (0.71) MEN1KMT2ALMNAGAAHSD17B10
SCHEMBL22939579 0.76 MAPT (0.59) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL6590103 0.75 LMNA (0.57) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3134631 0.75 CCR1 (0.52) RAB9ANPC1MEN1KMT2ALMNA

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