SCHEMBL8474563

SCHEMBL8474563

CCOC(=O)c1c(C(c2ccccc2)c2ccc(OCCN3CCCC3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.47
ESR1 P03372 1/20 0.47
PTGER4 P35408 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45

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
SCHEMBL8475899 0.94 HRH3 (0.45) LTA4HKDM4EALDH1A1LMNATP53
SCHEMBL8473765 0.92 PTGER4 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2PTGER4
SCHEMBL8474896 0.91 EGFR (0.47) LTA4HKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8475515 0.91 PTGER4 (0.51) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8477094 0.89 LTA4H (0.58) LTA4HKDM4EALDH1A1LMNATP53
SCHEMBL8477374 0.88 PTGER4 (0.51) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL8477133 0.87 PTGER4 (0.48) KDM4EALDH1A1LMNAHRH3KCNH2
SCHEMBL8475375 0.87 PTGER4 (0.50) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL8474648 0.87 PTGER4 (0.48) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8473412 0.86 LTA4H (0.51) LTA4HKDM4EALDH1A1LMNATP53

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-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed