SCHEMBL13680448

SCHEMBL13680448

COc1ccc(-c2cccc(C)n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 3/20 0.54
HTT P42858 3/20 0.54
TSHR P16473 3/20 0.54
USP2 O75604 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 3/20 0.50
ACACA Q13085 1/20 0.50
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
FPR2 P25090 1/20 0.50

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
SCHEMBL17144996 0.89 KDM4E (0.65) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16385162 0.88 RAB9A (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16385165 0.85 ALDH1A1 (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15256614 0.85 ALDH1A1 (0.55) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16385231 0.85 KMO (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16385293 0.85 MAPT (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14819917 0.83 BRD4 (0.51) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL16385227 0.82 CTSS (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7053613 0.82 HDAC8 (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17144647 0.81 KDM4E (0.56) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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