SCHEMBL7109286

SCHEMBL7109286

Cc1c(C=O)cccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
USP2 O75604 1/20 0.42
TLR2 O60603 1/20 0.42
ERN1 O75460 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 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
SCHEMBL7197459 0.87 PTGDR2 (0.62) DDB1CRBNPTGDR2ALDH1A1HPGD
SCHEMBL7110726 0.84 DDB1 (0.47) DDB1CRBNPTGDR2ALDH1A1HPGD
SCHEMBL7110729 0.84 DDB1 (0.47) DDB1CRBNPTGDR2ALDH1A1HPGD
SCHEMBL24571526 0.81 DDB1 (0.46) DDB1CRBNPTGDR2ALDH1A1HPGD
SCHEMBL7105655 0.80 DDB1 (0.53) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL12290718 0.80 DDB1 (0.53) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7104442 0.79 DDB1 (0.52) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL22656552 0.78 POLB (0.50) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL5697619 0.77 DDB1 (0.49) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL20398155 0.77 DDB1 (0.49) DDB1CRBNALDH1A1HPGDKDM4E

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
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed