SCHEMBL9876055

SCHEMBL9876055

CCOC(=O)C1(Cc2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ADAM17 P78536 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL3718479 0.88 KDM4E (0.64) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL6627628 0.86 KDM4E (0.64) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL14074899 0.84 KDM4E (0.62) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL20482668 0.82 L3MBTL1 (0.49) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL6311126 0.82 POLB (0.54) KMT2AKDM4ELMNAMEN1NPC1
SCHEMBL13887157 0.80 KMT2A (0.73) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL8357628 0.80 KMT2A (0.51) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL20482685 0.80 L3MBTL1 (0.45) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL6627953 0.79 ALDH1A1 (0.70) KMT2AKDM4ELMNAL3MBTL1MEN1
SCHEMBL9875164 0.78 KDM4E (0.50) KMT2AKDM4ELMNAMEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049696-A Enzyme inhibitors MERCK & CO., INC. (US) 1991-09-17 US disclosed
US-4847306-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0245004-A2 Antihypercholesterolemic compounds MERCK & CO. INC. (US) 1987-11-11 EP disclosed