SCHEMBL628894

SCHEMBL628894

O=C(CC1CCCCC1)NCCF

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
HPGD P15428 3/20 0.53
KMT2A Q03164 2/20 0.53
EPHX1 P07099 1/20 0.53
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
RAB9A P51151 5/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 4/20 0.50
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
RECQL P46063 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL7724890 0.82 EPHX2 (0.57) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL15680573 0.82 KEAP1 (0.66) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL23016392 0.81 KEAP1 (0.57) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL8848512 0.81 EPHX2 (0.55) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL24340632 0.80 KEAP1 (0.60) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL13527977 0.80 EPHX2 (0.54) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL7452577 0.79 EPHX2 (0.54) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL16326257 0.79 KEAP1 (0.55) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL17771351 0.78 EPHX2 (0.53) EPHX2HPGDKMT2AEPHX1KEAP1
SCHEMBL6360164 0.78 EPHX2 (0.53) EPHX2HPGDKMT2AEPHX1KEAP1

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
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed