SCHEMBL8761925

SCHEMBL8761925

Cc1cccc(OP2(=O)OCC(C)(C)CO2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSC P53634 2/20 0.35
CTSF Q9UBX1 2/20 0.35
CTSH P09668 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.33
HTR1B P28222 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 2/20 0.31

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
SCHEMBL24847365 0.88 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C19CYP2C9KMT2A
SCHEMBL8745424 0.74 MAPK1 (0.33) CYP1A2CYP3A4CYP2C19CYP2C9GAA
SCHEMBL29207931 0.72 MAPT (0.40) MAPTCTSVCTSLCTSBCTSS
SCHEMBL8761873 0.71 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19CYP2C9KMT2A
SCHEMBL4145479 0.68 HSD17B10 (0.37) CYP1A2CYP3A4CYP2C19CYP2C9NPSR1
SCHEMBL13697355 0.68 EPHX1 (0.37) MAPK1
SCHEMBL13697353 0.67 ALDH1A1 (0.42) MAPTCYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL25014158 0.66 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1887090 0.65 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL12963086 0.62 ACHE (0.30)

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-0779294-A1 Halogen-free cyclic phosphoric acid esters and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-18 EP disclosed