SCHEMBL8388348

SCHEMBL8388348

C[C@H](N)C(=O)NCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
PRMT1 Q99873 1/20 0.53
EPHX2 P34913 6/20 0.46
PLA2G2A P14555 1/20 0.46
ECE1 P42892 2/20 0.45
DPP7 Q9UHL4 1/20 0.44
MAPK1 P28482 1/20 0.44
TLR2 O60603 2/20 0.42
LMNA P02545 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
SCHEMBL8390709 0.98 ADRA1A (0.58) ADRA1APRMT1EPHX2PLA2G2AMAPK1
SCHEMBL27765049 0.94 ADRA1A (0.47) ADRA1APRMT1EPHX2ECE1DPP7
SCHEMBL8389957 0.94 ADRA1A (0.47) ADRA1APRMT1EPHX2ECE1DPP7
Ethylenediamine SCHEMBL9537618 0.93 ADRA1A (0.53) ADRA1APRMT1EPHX2PLA2G2ADPP7
SCHEMBL29360302 0.86 ECE1 (0.58) PLA2G2AECE1
SCHEMBL7290638 0.86 ECE1 (0.58) PLA2G2AECE1
SCHEMBL7290633 0.86 ECE1 (0.58) PLA2G2AECE1
SCHEMBL15623812 0.86 ALDH1A2 (0.54) DPP7MAPK1
Trifluoroacetic Acid SCHEMBL28629834 0.84 S1PR1 (0.44) ADRA1APRMT1ECE1TLR2
SCHEMBL23071875 0.84 ADRA1A (0.47) ADRA1APRMT1EPHX2PLA2G2AECE1

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-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed