SCHEMBL9631349

SCHEMBL9631349

CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)CC(CCC(C)CCCC(C)C)(COc1ccc(N)cc1)O2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
TTPA P49638 2/20 0.39
GSTO1 P78417 2/20 0.37
PTPN1 P18031 1/20 0.37
PSEN1 P49768 4/20 0.37
AKT1 P31749 1/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 2/20 0.30
GSTP1 P09211 1/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9630744 0.89 MEN1 (0.46) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9632167 0.87 MEN1 (0.34) MEN1KMT2APDE4APDE3A
SCHEMBL9631403 0.86 MEN1 (0.42) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9632620 0.80 MEN1 (0.33) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL7125937 0.79 MEN1 (0.36) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9630952 0.77 TTPA (0.41) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9631440 0.76 KMT2A (0.38) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9630725 0.73 CYP3A4 (0.42) MEN1KMT2ATDP1MAPT
SCHEMBL10641768 0.73 MEN1 (0.46) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9632313 0.73 MEN1 (0.30) MEN1KMT2APDE4APDE3A

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-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed