SCHEMBL30456597

SCHEMBL30456597

COC(=O)C1CC2ON=C(c3ccc(OC)c(C(=O)OC(C)(C)C)c3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.41
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
PDE4B Q07343 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
STS P08842 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL25245392 1.00 MIF (0.41) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL25284635 0.87 MIF (0.42) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL30362219 0.78 MIF (0.38) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL26135768 0.78 MIF (0.38) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL30457766 0.77 CFTR (0.38) MIFMAPK1SMN1; SMN2KDM4EPDE4B
SCHEMBL25230754 0.77 CFTR (0.38) MIFMAPK1SMN1; SMN2KDM4EPDE4B
SCHEMBL25280795 0.77 MIF (0.37) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL30362103 0.77 MIF (0.37) MIFMAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL25277492 0.76 PDE4B (0.47) PDE4BKMT2ASTSMEN1PKM
SCHEMBL26543564 0.76 MIF (0.36) MIFMAPK1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed