SCHEMBL7658900

SCHEMBL7658900

Cc1c(COC(=O)N(c2ccccc2)c2ccccc2)cccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PTGIR P43119 6/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGDR Q13258 3/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7111073 0.86 PTGIR (0.49) PTGIRHPGDKDM4EALDH1A1PTGDR
SCHEMBL7108726 0.81 DDB1 (0.40) DDB1CRBNPTGIRHPGDKDM4E
SCHEMBL7104410 0.81 DDB1 (0.40) DDB1CRBNPTGIRHPGDKDM4E
SCHEMBL7654170 0.78 PTGIR (0.52) PTGIRPTGDRPTGER1PTGER3L3MBTL1
SCHEMBL7104442 0.77 DDB1 (0.52) DDB1CRBNHPGDKDM4EMEN1
SCHEMBL7650676 0.76 PTGIR (0.39) PTGIRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7106168 0.75 ATM (0.41) PTGIRPTGDRNPSR1L3MBTL1TDP1
SCHEMBL7106164 0.75 L3MBTL1 (0.41) PTGIRMEN1ALDH1A1TSHRKMT2A
Tert-Butylamine SCHEMBL7655093 0.73 PTGIR (0.44) PTGIRHPGDKDM4EALDH1A1PTGDR
SCHEMBL22656552 0.72 POLB (0.50) DDB1CRBNHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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