SCHEMBL8881966

SCHEMBL8881966

OCC1(CN(Cc2ccccc2)Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRL1 P41146 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9228415 0.92 ALDH1A1 (0.58) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9233359 0.92 POLB (0.54) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL8883321 0.87 POLB (0.49) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL8880097 0.86 CYP3A4 (0.43) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9233103 0.85 POLB (0.58) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9228345 0.85 POLB (0.52) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL19779269 0.80 POLB (0.55) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9234156 0.80 ALDH1A1 (0.58) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL8881815 0.79 CYP2D6 (0.48) ALDH1A1MEN1KMT2AOPRM1CYP3A4
SCHEMBL18123311 0.79 POLB (0.65) POLBGAAALDH1A1MEN1KMT2A

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-5677316-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0677522-A1 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-10-18 EP disclosed