Abrine

Abrine

SCHEMBL8871893

C.CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
ACE P12821 3/20 0.67
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
APAF1 O14727 1/20 0.66
POLB P06746 1/20 0.66
RECQL P46063 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ITGB2 P05107 3/20 0.65
ICAM1 P05362 3/20 0.65
ITGAL P20701 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.63
ECE1 P42892 4/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62

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
Abrine SCHEMBL8873731 1.00 ALOX15 (0.69) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL29404678 0.99 ALOX15 (0.70) ALOX15ACEKDM4EMAPTAPAF1
Abrine (L) SCHEMBL29585648 0.99 ALOX15 (0.70) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL18778 0.99 ALOX15 (0.70) ALOX15ACEKDM4EMAPTAPAF1
Abrine (L) SCHEMBL18777 0.99 ALOX15 (0.70) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL161767 0.99 ALOX15 (0.70) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL23668057 0.97 ALOX15 (0.69) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL5056408 0.97 ALOX15 (0.69) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL30320025 0.97 ALOX15 (0.69) ALOX15ACEKDM4EMAPTAPAF1
Abrine SCHEMBL30413313 0.97 ALOX15 (0.69) ALOX15ACEKDM4EMAPTAPAF1

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-5610177-A Acylated amino acids as endothelin antagonists WARNER-LAMBERT COMPANY (US) 1997-03-11 US disclosed