SCHEMBL621624

SCHEMBL621624

COC(=O)CCCCCCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
PLA2G2A P14555 1/20 0.50
PLA2G5 P39877 1/20 0.50
TSHR P16473 2/20 0.45
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SDCBP O00560 2/20 0.43
SDC2 P34741 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6445088 1.00 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL6445084 1.00 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL621625 1.00 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL6446232 0.98 EPHX2 (0.48) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL622468 0.98 EPHX2 (0.48) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL6444837 0.92 EPHX2 (0.44) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL28345864 0.89 TSHR (0.44) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL28345863 0.89 TSHR (0.44) EPHX2PLA2G2APLA2G5TSHRFAAH
SCHEMBL15623788 0.88 PLA2G2A (0.56) EPHX2PLA2G2APLA2G5FAAHMEN1
SCHEMBL28806410 0.85 TSHR (0.47) TSHRFAAHMEN1MAPK1KMT2A

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
WO-2012021788-A2 DIPEPTIDE CALPAIN INHIBITORS BANYAN BIOMARKERS (US) 2012-02-16 WO disclosed
WO-2012021788-A2 DIPEPTIDE CALPAIN INHIBITORS BANYAN BIOMARKERS (US) 2012-02-16 WO disclosed