SCHEMBL21787455

SCHEMBL21787455

COC(C)(C)C1Cc2c(cccc2CN2CCCC2)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL21777282 0.77
SCHEMBL21767529 0.76 MTNR1A (0.35) SMN1; SMN2
SCHEMBL30493364 0.76 MTNR1A (0.35) SMN1; SMN2
SCHEMBL21787494 0.73
SCHEMBL21767523 0.66
SCHEMBL21787392 0.64 TNKS (0.35) MAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL7862353 0.62 KDM4E (0.51) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL10073543 0.62 KDM4E (0.63) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL9831188 0.61 KDM4E (0.69) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL21339141 0.61 KMT2A (0.56) KDM4EALDH1A1POLBMEN1KMT2A

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
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed