SCHEMBL7536176

SCHEMBL7536176

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PDE4A P27815 1/20 0.50
PDE3A Q14432 1/20 0.50
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.44
ALOX5 P09917 1/20 0.42
PTPN1 P18031 1/20 0.39
GSTO1 P78417 1/20 0.39
PSEN1 P49768 5/20 0.38

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
SCHEMBL10641788 0.90 MEN1 (0.53) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL10636293 0.88 TTPA (0.49) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL9631048 0.87 MAPT (0.48) TTPAKMT2AMEN1MAPTTDP1
SCHEMBL7487350 0.87 MEN1 (0.52) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL9630613 0.87 TTPA (0.48) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL9632107 0.86 MAPT (0.60) TTPAKMT2AMEN1MAPTTDP1
SCHEMBL6978127 0.86 TTPA (0.47) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL10642037 0.85 TTPA (0.47) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL7838976 0.85 MEN1 (0.51) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL10639032 0.85 KMT2A (0.47) TTPAKMT2AMEN1PDE4APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891974-B1 Process for producing chromans KURARAY CO (JP) 2002-04-17 EP disclosed
US-6133471-A Process for producing chromans KURARAY CO., LTD. (JP) 2000-10-17 US disclosed
US-6130341-A Process for producing chromans KURARAY CO., LTD. (JP) 2000-10-10 US disclosed
EP-0916665-A1 Process for preparing chroman derivatives LONZA A.G. (CH) 1999-05-19 EP disclosed
EP-0891974-A1 Process for producing chromans KURARAY CO., LTD. (JP) 1999-01-20 EP disclosed
EP-0139421-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1988-04-27 EP disclosed
US-4572912-A Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-02-25 US disclosed
EP-0139421-A1 Thiazolidine derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-05-02 EP disclosed