SCHEMBL31056459

SCHEMBL31056459

O=C(O)c1cc(C2OCCO2)c(OCc2ccccc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
CTSV O60911 3/20 0.45
CTSL P07711 3/20 0.45
MCL1 Q07820 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.44
NPC1 O15118 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
PTGER1 P34995 2/20 0.44
S1PR5 Q9H228 1/20 0.43
FABP4 P15090 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL25386011 0.88 NPC1 (0.44) CTSVCTSLMRGPRX4NPC1RXRA
SCHEMBL31056825 0.85 MCL1 (0.47) FOLH1CTSVCTSLMCL1RXRA
SCHEMBL31056217 0.85 FOLH1 (0.48) FOLH1MCL1MRGPRX4PTGER1KDM4E
SCHEMBL31056045 0.85 PTGER1 (0.50) FOLH1CTSVCTSLMCL1MRGPRX4
SCHEMBL15968165 0.83 FOLH1 (0.55) FOLH1CTSVCTSLMCL1MRGPRX4
SCHEMBL31056247 0.82 FOLH1 (0.43) FOLH1CTSVCTSLMCL1PTGER1
SCHEMBL31055978 0.82 CTSV (0.41) FOLH1CTSVCTSLMCL1POLB
SCHEMBL4464916 0.81 FOLH1 (0.56) FOLH1CTSVCTSLMCL1MRGPRX4
SCHEMBL31056082 0.81 KDM1A (0.45) S1PR5
SCHEMBL31055888 0.81 ERN1 (0.43) NPC1S1PR5L3MBTL1

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed