SCHEMBL31056217

SCHEMBL31056217

O=C(O)c1cc(C2OCCO2)c(OCc2ccccc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MCL1 Q07820 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGER1 P34995 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL31056402 0.89 LMNA (0.43) FOLH1ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL31056459 0.85 FOLH1 (0.45) FOLH1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL31056045 0.85 PTGER1 (0.50) FOLH1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL31056825 0.85 MCL1 (0.47) FOLH1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL31056247 0.82 FOLH1 (0.43) FOLH1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL16416469 0.81 TSHR (0.61) FOLH1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL31056250 0.80 PTGER1 (0.48) POLBPTGER1MEN1KMT2ATHRB
SCHEMBL31056681 0.80 HTR2C (0.44) L3MBTL1TDP1MEN1KMT2ASIRT1
SCHEMBL31056266 0.79 HTR2C (0.46) L3MBTL1TDP1MEN1KMT2ASIRT1
SCHEMBL31056082 0.79 KDM1A (0.45) SIRT1

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