SCHEMBL11050186

SCHEMBL11050186

COC1=C(OC)C(=O)C(CC[C]=O)=C(C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 2/20 0.57
THRB P10828 1/20 0.57
LMNA P02545 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
PGR P06401 1/20 0.56
MAOA P21397 1/20 0.56
TBXA2R P21731 1/20 0.56
MAPK1 P28482 1/20 0.56
AVPR2 P30518 1/20 0.56
HTR2B P41595 1/20 0.56
HTT P42858 1/20 0.56
PDE3A Q14432 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
SLC29A1 Q99808 1/20 0.56

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
SCHEMBL11051453 0.86 MAPT (0.69) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL11054689 0.86 MAPT (0.69) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL7364265 0.81 MAPT (0.74) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL6576123 0.79 MAPT (0.73) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL7366956 0.77 IDO1 (0.62) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL14895856 0.77 IDO1 (0.62) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL11168890 0.76 IDO1 (0.71) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL11050192 0.76 IDO1 (0.61) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL30594080 0.74 IDO1 (1.00) IDO1MAPTTDP1ALDH1A1THRB
SCHEMBL11857681 0.74 MAPT (0.96) IDO1MAPTTDP1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430265-A IMMUNOSTIMULATORY ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-02-07 US disclosed
US-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 US disclosed
EP-0015468-B1 6-DEOXYGLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-29 EP disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 US disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 EP disclosed
EP-0002677-A1 Glucosamine-peptide derivatives and their pharmaceutical compositions Takeda Chemical Industries, Ltd. (JP) 1979-07-11 EP disclosed