SCHEMBL629341

SCHEMBL629341

COCCNC(=O)CC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 3/20 0.51
KDM4E B2RXH2 1/20 0.49
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
HPGD P15428 2/20 0.49
EPHX1 P07099 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL30921001 0.91 ALDH1A1 (0.47) ALDH1A1TDP1EPHX2KDM4EHPGD
SCHEMBL27260554 0.83 EPHX2 (0.51) EPHX2KDM4EKEAP1NFE2L2HPGD
SCHEMBL8848512 0.80 EPHX2 (0.55) ALDH1A1EPHX2KDM4EKEAP1NFE2L2
SCHEMBL24146308 0.80 EPHX2 (0.49) EPHX2KDM4EKEAP1NFE2L2HPGD
SCHEMBL25567742 0.79 EPHX2 (0.48) EPHX2KDM4EKEAP1NFE2L2HPGD
SCHEMBL24146116 0.79 EPHX2 (0.48) EPHX2KDM4EKEAP1NFE2L2HPGD
SCHEMBL7724890 0.78 EPHX2 (0.57) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL6360164 0.78 EPHX2 (0.53) ALDH1A1EPHX2KDM4EKEAP1NFE2L2
SCHEMBL15680573 0.77 KEAP1 (0.66) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL628952 0.77 KEAP1 (0.57) EPHX2KEAP1NFE2L2HPGDEPHX1

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 3 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
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed