SCHEMBL7004252

SCHEMBL7004252

CCOC(=O)c1cc2c(OCc3ccc(OC)cc3)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.58
HPGD P15428 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
POLB P06746 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL700753 0.89 SRD5A2 (0.73) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL7005455 0.88 SRD5A2 (0.59) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL7006504 0.85 SRD5A2 (0.56) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL699482 0.84 FLT3 (0.60) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL914178 0.82 SRD5A2 (0.54) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL15099347 0.82 KDM4E (0.49) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL7193910 0.80 SRD5A1 (0.62) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL6595625 0.79 SRD5A2 (0.77) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL914562 0.78 KDM4E (0.52) SRD5A2HPGDNPC1RAB9AKDM4E
SCHEMBL914490 0.78 KDM4E (0.54) SRD5A2HPGDNPC1RAB9AKDM4E

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed