SCHEMBL10346397

SCHEMBL10346397

COc1c(C)c(C)c2c(c1C)CCC(C)(CCN1CCN(CCC(C)C)CC1)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE4A P27815 1/20 0.50
PDE3A Q14432 1/20 0.50
GSTO1 P78417 2/20 0.49
PSEN1 P49768 2/20 0.48
AKT1 P31749 5/20 0.47
TTPA P49638 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
GSTP1 P09211 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN1 P18031 1/20 0.46
NR1I2 O75469 2/20 0.42
ALOX5 P09917 1/20 0.39
PDPK1 O15530 2/20 0.39
PHLPP1 O60346 2/20 0.39

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
SCHEMBL10346637 0.89 KMT2A (0.41) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL10346384 0.86 KMT2A (0.42) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL10346408 0.84 KMT2A (0.43) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL10346622 0.84 MEN1 (0.40) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL10346393 0.82 MEN1 (0.41) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL10346356 0.80 SMN1; SMN2 (0.45) MEN1KMT2AAKT1LMNAUSP2
SCHEMBL23076488 0.80 MEN1 (0.75) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL4714113 0.80 MEN1 (0.75) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL13017369 0.80 MEN1 (0.75) MEN1KMT2APDE4APDE3AGSTO1
SCHEMBL24917316 0.80 MEN1 (0.75) MEN1KMT2APDE4APDE3AGSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728650-A ANTIULCER, ANTITUSSIVE, EXPECTORANTS KURARAY CO., LTD. (JP) 1988-03-01 US claimed
EP-0202580-B1 3,4-DIHYDROBENZOPYRAN DERIVATIVES KURARAY CO., LTD. (JP) 1990-03-28 EP disclosed
US-4728650-A ANTIULCER, ANTITUSSIVE, EXPECTORANTS KURARAY CO., LTD. (JP) 1988-03-01 US disclosed
EP-0202580-A2 3,4-Dihydrobenzopyran derivatives KURARAY CO., LTD. (JP) 1986-11-26 EP disclosed