SCHEMBL8964804

SCHEMBL8964804

CCCC1(CCC)c2ccccc2-c2cc(NC(=O)c3cc4oc5ccccc5c4cc3OC)c(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.51
ALDH1A1 P00352 13/20 0.51
KDM4E B2RXH2 11/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
LMNA P02545 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
RAB9A P51151 5/20 0.44
HPGD P15428 10/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL13327368 0.82 KCNMA1 (0.42) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL8964494 0.74 KCNMA1 (0.64) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8964538 0.74 MAPT (0.60) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13327385 0.74 KCNMA1 (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL8964873 0.69 MAPT (0.39) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12368180 0.69 MAPT (0.72) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6705537 0.68 MAPT (1.00) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL11596339 0.67 MAPT (0.63) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL22139803 0.66 MEN1 (0.57) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8964810 0.66 ALDH1A1 (0.60) MAPTALDH1A1KDM4EKMT2AMEN1

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed