SCHEMBL31056353

SCHEMBL31056353

O=C(O)c1cc(C2OCCO2)c(OCc2ccccc2)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
PTGER1 P34995 2/20 0.38
FABP4 P15090 1/20 0.38
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
CLCN2 P51788 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
FOLH1 Q04609 1/20 0.37
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
BAK1 Q16611 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLRA1 P23415 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
SCHEMBL31056382 0.91 MCL1 (0.39) MCL1CTSVCTSLPTGER1FABP4
SCHEMBL31055978 0.90 CTSV (0.41) MCL1CTSVCTSLFOLH1KDM1A
SCHEMBL31056034 0.86 CTSV (0.41) CTSVCTSLMRGPRX4MEN1KMT2A
SCHEMBL31056360 0.81 CTSV (0.42) MCL1CTSVCTSLPTGER1FOLH1
SCHEMBL31056045 0.79 PTGER1 (0.50) MCL1CTSVCTSLPTGER1CHRM4
SCHEMBL31056459 0.79 FOLH1 (0.45) MCL1CTSVCTSLPTGER1FABP4
SCHEMBL31055861 0.78 MEN1 (0.47) CTSVCTSLPTGER1KDM1AMAOA
SCHEMBL31055943 0.78 THRA (0.39) THRATHRBKDM1AMAOAMAOB
SCHEMBL31056479 0.78 MEN1 (0.47) FABP4MRGPRX4MEN1KMT2AGLRA1
SCHEMBL31056825 0.74 MCL1 (0.47) MCL1CTSVCTSLPTGER1FOLH1

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