SCHEMBL8975007

SCHEMBL8975007

CCCCCCN[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.50
FOLH1 Q04609 1/20 0.50
CHRND Q07001 5/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL28031750 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL620470 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL7142929 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL620471 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL28663068 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL23778217 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL28379862 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
SCHEMBL38651117 1.00 GRIA1 (0.50) GRIA1FOLH1CHRNDCHRNA1CHRNG
Hydrochloric Acid SCHEMBL906368 0.99 GRIA1 (0.49) GRIA1FOLH1CHRNDCHRNA1CHRNG
Hydrochloric Acid SCHEMBL906366 0.99 GRIA1 (0.49) GRIA1FOLH1CHRNDCHRNA1CHRNG

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
EP-0705274-A1 METHOD AND COMPOSITION FOR TREATING THROMBOSIS LA JOLLA CANCER RESEARCH FOUNDATION (US) 1996-04-10 EP disclosed