SCHEMBL8475983

SCHEMBL8475983

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8477094 0.93 LTA4H (0.58) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8475899 0.89 HRH3 (0.45) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8472006 0.88 HTT (0.52) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8472630 0.87 POLB (0.45) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8472363 0.86 POLB (0.47) KDM4EALDH1A1LMNAALOX15
SCHEMBL8901044 0.85 NPY1R (0.41) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8473412 0.83 LTA4H (0.51) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8474563 0.83 LTA4H (0.50) LTA4HSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL8475107 0.82 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1HTTTP53
SCHEMBL8477333 0.82 HTR7 (0.48) KDM4E

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