SCHEMBL30097046

SCHEMBL30097046

[2H]C([2H])(OCC(=O)OCCCC)c1ncc(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 4/20 0.37
CNR1 P21554 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
PABPC1 P11940 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL30405540 0.80 PLAU (0.33) CNR1GAA
SCHEMBL30042583 0.80 PLAU (0.33) CNR1GAA
SCHEMBL23705809 0.79 PLAU (0.43) TDP1ALDH1A1L3MBTL1THRATHRB
SCHEMBL30042575 0.79 PLAU (0.43) TDP1ALDH1A1L3MBTL1THRATHRB
SCHEMBL23705893 0.74 MEN1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30042623 0.74 MEN1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23243202 0.69 HPGD (0.42) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6252442 0.67 ALDH1A1 (0.62) TDP1ALDH1A1L3MBTL1ESR1THRB
SCHEMBL21275447 0.66 ALDH1A1 (0.56) TDP1ALDH1A1L3MBTL1HPGD
SCHEMBL29342260 0.66 ALDH1A1 (0.53) TDP1ALDH1A1L3MBTL1ESR1NPC1

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
EP-4096667-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed