SCHEMBL30457516

SCHEMBL30457516

COc1ccc(C2=NOC3CC(O)CC23)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.37
CFD P00746 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 2/20 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
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTOR P42345 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 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
SCHEMBL25271699 1.00 MIF (0.37) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL30362037 0.89 MIF (0.37) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL26107590 0.89 MIF (0.37) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL30362028 0.87 MIF (0.38) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL25226342 0.87 MIF (0.38) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL25284635 0.86 MIF (0.42) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL25281532 0.83 MTOR (0.40) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL26103646 0.83 AR (0.47) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL26543573 0.81 SYK (0.37) MIFCFDKDM4EALDH1A1MAPK1
SCHEMBL30361951 0.81 MIF (0.37) MIFCFDKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448483-A1 BICYCLO [3.2.0] HEPTANE BIS(AMIDE) RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114824-A1 BICYCLO [3.2.0] HEPTANE BIS(AMIDE) RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed