SCHEMBL25284635

SCHEMBL25284635

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.42
KDM4E B2RXH2 3/20 0.37
APAF1 O14727 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MCL1 Q07820 1/20 0.37
CASP8 Q14790 1/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
IDO1 P14902 4/20 0.36
SYK P43405 1/20 0.36
APEX1 P27695 1/20 0.35

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 0.87 MIF (0.41) MIFKDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30456597 0.87 MIF (0.41) MIFKDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL25271699 0.86 MIF (0.37) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL30457516 0.86 MIF (0.37) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL30362037 0.86 MIF (0.37) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL26107590 0.86 MIF (0.37) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL25226342 0.84 MIF (0.38) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL30362028 0.84 MIF (0.38) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL25281532 0.80 MTOR (0.40) MIFKDM4EAPAF1RECQLCASP6
SCHEMBL26103646 0.80 AR (0.47) KDM4EAPAF1RECQLCASP6CACNA1B

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-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
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed