SCHEMBL31056360

SCHEMBL31056360

O=C(O)c1ccc(C2OCCO2)c(OCc2ccccc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
BRD4 O60885 1/20 0.42
KDM1A O60341 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
PTGER1 P34995 1/20 0.38
NR4A2 P43354 1/20 0.37
FOLH1 Q04609 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL25383026 0.88 SMN1; SMN2 (0.44) ALOX5APFEN1
SCHEMBL31055978 0.87 CTSV (0.41) CTSVCTSLKDM1AMAOAMAOB
SCHEMBL31056382 0.84 MCL1 (0.39) CTSVCTSLKDM1AMAOAMAOB
SCHEMBL31056034 0.83 CTSV (0.41) CTSVCTSLBRD4
SCHEMBL31056353 0.81 MCL1 (0.39) CTSVCTSLKDM1AMAOAMAOB
SCHEMBL31056459 0.78 FOLH1 (0.45) CTSVCTSLBRD4PTGER1FOLH1
SCHEMBL27982373 0.77 BRD4 (0.49) CTSVCTSLBRD4KDM1AMAOA
SCHEMBL31055861 0.77 MEN1 (0.47) CTSVCTSLKDM1AMAOAMAOB
SCHEMBL20581860 0.76 FOLH1 (0.54) CTSVCTSLBRD4PTGER1FOLH1
SCHEMBL4006946 0.74 ALB (0.41) NR4A2

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