SCHEMBL7108347

SCHEMBL7108347

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SSTR4 P31391 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7105649 0.91 DDB1 (0.42) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7108726 0.80 DDB1 (0.40) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL12290718 0.79 DDB1 (0.53) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7104442 0.78 DDB1 (0.52) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL31068577 0.76 ALDH1A1 (0.46) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL29347077 0.76 ALDH1A1 (0.46) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7105655 0.76 DDB1 (0.53) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL22656552 0.74 POLB (0.50) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL12145905 0.74 PTGDR2 (0.67) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7109286 0.74 DDB1 (0.51) 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