SCHEMBL8472576

SCHEMBL8472576

CCOC(=O)c1c(C(c2ccccc2)c2ccccc2)c2c(OCCCl)cccc2n1CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PTGER4 P35408 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
PLA2G2A P14555 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 2/20 0.33
RAD52 P43351 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDC7 O00311 1/20 0.33
MARK3 P27448 1/20 0.33
SYK P43405 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK1 P51617 1/20 0.33
NEK4 P51957 1/20 0.33

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
SCHEMBL8472573 0.83 KMT2A (0.44) KMT2AMEN1PTGER4PLA2G2APOLB
SCHEMBL8476486 0.80 PTGER4 (0.50) KMT2AMEN1PTGER4SMN1; SMN2KDM4E
SCHEMBL8476671 0.77 KMT2A (0.47) KMT2AMEN1PTGER4KDM4EALDH1A1
SCHEMBL8472027 0.75 L3MBTL1 (0.47) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8476230 0.75 PTGER4 (0.47) KMT2APTGER4KDM4EALDH1A1POLB
SCHEMBL8474553 0.75 PTGER4 (0.47) KMT2AMEN1PTGER4SMN1; SMN2KDM4E
SCHEMBL8472402 0.75 PTGER4 (0.49) KMT2AMEN1PTGER4SMN1; SMN2KDM4E
SCHEMBL8477130 0.75 KMT2A (0.55) KMT2AMEN1PTGER4KDM4EALDH1A1
SCHEMBL8472117 0.74 L3MBTL1 (0.46) KMT2AMEN1PTGER4SMN1; SMN2KDM4E
SCHEMBL8476027 0.74 KMT2A (0.52) KMT2APTGER4KDM4EALDH1A1

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed