SCHEMBL7104442

SCHEMBL7104442

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDCD1 Q15116 1/20 0.37

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
SCHEMBL13140904 0.87 L3MBTL1 (0.45) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL7994085 0.84 MAPK1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5697619 0.82 DDB1 (0.49) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL7105655 0.81 DDB1 (0.53) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL12290718 0.81 DDB1 (0.53) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL7654284 0.80 L3MBTL1 (0.55) HPGDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL1950706 0.80 KDM4E (0.49) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL22656552 0.80 POLB (0.50) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL7109286 0.79 DDB1 (0.51) DDB1CRBNHPGDALDH1A1KDM4E
SCHEMBL20398155 0.79 DDB1 (0.49) DDB1CRBNHPGDALDH1A1KDM4E

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