SCHEMBL7921985

SCHEMBL7921985

O=C(Nc1ccc(-c2cccc(C(=O)O)c2)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 2/20 0.47
KMO O15229 1/20 0.46
KMT2A Q03164 3/20 0.46
MGLL Q99685 3/20 0.44
MDM2 Q00987 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1252684 0.92 EPHX2 (0.67) EPHX2KMOKMT2AMGLLNR1H4
SCHEMBL7913189 0.90 EPHX2 (0.59) EPHX2KMT2AMDM2RAB9ASMN1; SMN2
SCHEMBL3202738 0.89 EPHX2 (0.66) EPHX2KMT2AMGLL
SCHEMBL118921 0.87 EPHX2 (0.73) EPHX2KMT2ANR1H4MEN1NPC1
SCHEMBL30089345 0.87 EPHX2 (0.73) EPHX2KMT2ANR1H4MEN1NPC1
SCHEMBL29400630 0.87 EPHX2 (0.73) EPHX2KMT2ANR1H4MEN1NPC1
Acetic Acid SCHEMBL1157085 0.86 EPHX2 (0.60) EPHX2KMT2AMDM2
SCHEMBL118052 0.86 EPHX2 (0.63) EPHX2KMT2A
SCHEMBL29401210 0.86 EPHX2 (0.63) EPHX2KMT2A
SCHEMBL29561956 0.86 EPHX2 (0.63) EPHX2KMT2A

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
US-6228985-B1 COMPOUNDS THAT INHIBIT INTERACTION OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR WITH UROKINASE-TYPE PLASMINOGEN RECEPTOR; ANTITUMOR AGENTS; ANTIMETASTASIS AGENTS; ANTIARTHRITIC AGENTS FOR RHEUMATOID ARTHRITIS SCHERING CORPORATION 2001-05-08 US disclosed