SCHEMBL9630744

SCHEMBL9630744

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46
TTPA P49638 4/20 0.45
GSTO1 P78417 2/20 0.37
PTPN1 P18031 1/20 0.37
PSEN1 P49768 4/20 0.36
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.32
GAA P10253 1/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL9631349 0.89 MEN1 (0.47) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9630952 0.89 TTPA (0.41) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9631440 0.88 KMT2A (0.38) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9631403 0.83 MEN1 (0.42) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9632161 0.81 TTPA (0.39) MEN1KMT2ATTPAMAPTCRHBP
SCHEMBL8177483 0.81 KMT2A (0.39) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9632167 0.76 MEN1 (0.34) MEN1KMT2APDE4APDE3A
SCHEMBL9632039 0.76 NPC1 (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9632315 0.75 KMT2A (0.42) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL10642037 0.75 TTPA (0.47) MEN1KMT2APDE4APDE3ATTPA

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