SCHEMBL11522229

SCHEMBL11522229

O=C(CP(=O)(O)O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
EPHX1 P07099 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL5807148 0.79 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL23884204 0.76 EPHX2 (0.61) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL27004562 0.75 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL13891367 0.75 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL8403724 0.75 EPHX2 (0.66) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL4009926 0.75 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL1718112 0.75 ALDH1A1 (0.73) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL5807144 0.75 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL11571847 0.73 EPHX2 (0.59) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL31416867 0.73 EPHX2 (0.57) EPHX2EPHX1HDAC3HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138432-A Amides of phosphonoacetic acid ABBOTT LABORATORIES (US) 1979-02-06 US disclosed
US-4087522-A Amides of phosphonoacetic acid for treating herpes simplex virus type 1 and 2 infections ABBOTT LABORATORIES (US) 1978-05-02 US disclosed