SCHEMBL8472117

SCHEMBL8472117

CCOC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
CNR2 P34972 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.41
ELANE P08246 1/20 0.41
SCARB1 Q8WTV0 1/20 0.41
MEN1 O00255 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8472027 0.97 L3MBTL1 (0.47) L3MBTL1KDM4ELMNACNR2ALDH1A1
SCHEMBL8477130 0.87 KMT2A (0.55) L3MBTL1KDM4ELMNACNR2ALDH1A1
SCHEMBL8476027 0.86 KMT2A (0.52) L3MBTL1KDM4ELMNACNR2ALDH1A1
SCHEMBL8474648 0.85 PTGER4 (0.48) L3MBTL1KDM4ELMNACNR2ALDH1A1
SCHEMBL8477133 0.85 PTGER4 (0.48) KDM4ELMNACNR2ALDH1A1SCARB1
SCHEMBL8476486 0.85 PTGER4 (0.50) L3MBTL1KDM4ELMNAALDH1A1HTT
SCHEMBL8476904 0.85 KDM4E (0.43) L3MBTL1KDM4ELMNACNR2ALDH1A1
SCHEMBL8473765 0.84 PTGER4 (0.52) KDM4ECNR2ALDH1A1SMN1; SMN2TSHR
SCHEMBL8472573 0.83 KMT2A (0.44) KMT2AMEN1PTGER4
SCHEMBL8475515 0.83 PTGER4 (0.51) KDM4ELMNACNR2ALDH1A1SMN1; 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-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