SCHEMBL7521589

SCHEMBL7521589

O=C(CCCCBr)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LPAR1 Q92633 3/20 0.42
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
KIF11 P52732 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SRD5A2 P31213 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL21861457 0.98 CRHBP (0.47) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL6037684 0.98 CRHBP (0.47) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL27413653 0.91 CRHBP (0.51) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL28833591 0.88 CRHBP (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL27333858 0.86 HDAC3 (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL27702248 0.86 CRHBP (0.48) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL27716236 0.86 HDAC3 (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL32684616 0.85 CRHBP (0.56) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL11043165 0.85 CRHBP (0.47) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL9261002 0.85 MGLL (0.47) CRHBPCRHR2ESR1ESR2LPAR1

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-0630899-B1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINE CONTAINING THE SAME OTSUKA KAGAKU KK (JP) 2002-02-13 EP disclosed
US-5635500-A EFFECTIVE IN TREATING INFECTIOUS DISEASES ASSOCIATED WITH METICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-03 US disclosed
EP-0630899-A1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-12-28 EP disclosed