SCHEMBL8475899

SCHEMBL8475899

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
PTGER4 P35408 1/20 0.44
LTA4H P09960 1/20 0.43
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8474563 0.94 LTA4H (0.50) HRH3KCNH2PTGER4LTA4HESR1
SCHEMBL8475983 0.89 LTA4H (0.50) HRH3KCNH2LTA4HESR1SMN1; SMN2
SCHEMBL8473765 0.89 PTGER4 (0.52) PTGER4SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8474896 0.89 EGFR (0.47) PTGER4LTA4HSMN1; SMN2KDM4EALDH1A1
SCHEMBL8475515 0.88 PTGER4 (0.51) HRH3KCNH2PTGER4SMN1; SMN2KDM4E
SCHEMBL8472573 0.87 KMT2A (0.44) PTGER4HPGD
SCHEMBL8475897 0.86 NPY1R (0.38) SMN1; SMN2KDM4EALDH1A1LMNATP53
SCHEMBL8477374 0.86 PTGER4 (0.51) PTGER4SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8477133 0.85 PTGER4 (0.48) HRH3KCNH2PTGER4KDM4EALDH1A1
SCHEMBL8475375 0.85 PTGER4 (0.50) PTGER4SMN1; SMN2KDM4EALDH1A1LMNA

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