SCHEMBL8416979

SCHEMBL8416979

NC1CCC(N2CC(CCC(=O)O)N(c3ccccc3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
F10 P00742 7/20 0.33
F2 P00734 7/20 0.33
PRSS1 P07477 6/20 0.33
HPN P05981 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 0.33
ST14 Q9Y5Y6 4/20 0.33
HGFAC Q04756 3/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MAPK1 P28482 1/20 0.33
CALCRL Q16602 1/20 0.32
CACNA1B Q00975 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
FFAR1 O14842 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL8413743 0.93 PTGER3 (0.38) PTGER3PTGER2F10F2PRSS1
SCHEMBL8415390 0.89 GAA (0.37) F2ALDH1A1
SCHEMBL8415966 0.88 F2 (0.37) PTGER3PTGER2F10F2PRSS1
SCHEMBL8416045 0.85 GAA (0.39) KDM4EALDH1A1MAPT
SCHEMBL8415964 0.78 GAA (0.35) F10F2PRSS1HPNPRSS2
SCHEMBL8573582 0.74 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL8572803 0.72 CHRM3 (0.48) F10F2PRSS1HPNPRSS2
SCHEMBL8575501 0.71 PTGER3 (0.35) PTGER3PTGER2
SCHEMBL11021780 0.70 PTGER2 (0.62) PTGER3PTGER2KDM4EALDH1A1
SCHEMBL8416012 0.70 PTGER3 (0.35) PTGER3PTGER2F10FFAR1

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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed