SCHEMBL7108726

SCHEMBL7108726

Cc1c(C#CCOC(=O)N(c2ccccc2)c2ccccc2)cccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
PTGIR P43119 7/20 0.38
PTGDR Q13258 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7658900 0.81 DDB1 (0.43) DDB1CRBNPTGIRPTGDRPTGER1
SCHEMBL7108347 0.80 DDB1 (0.47) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL7105649 0.77 DDB1 (0.42) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL7104410 0.77 DDB1 (0.40) DDB1CRBNPTGIRPTGDRPTGER1
SCHEMBL22656552 0.69 POLB (0.50) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL31068577 0.67 ALDH1A1 (0.46) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL12290718 0.67 DDB1 (0.53) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL7105655 0.67 DDB1 (0.53) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL29347077 0.67 ALDH1A1 (0.46) DDB1CRBNHPGDALDH1A1TSHR
SCHEMBL2776017 0.67 ALDH1A1 (0.63) HPGDALDH1A1TSHRKDM4ENPSR1

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