SCHEMBL8719563

SCHEMBL8719563

CC(=O)SCCC(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
DGKA P23743 1/20 0.35
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
DNM1 Q05193 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL20466232 0.85 DGKA (0.47) MGLLDGKATSHRACHEDNM1
SCHEMBL17564705 0.81 ALDH1A1 (0.50) ATMMAPTDGKATSHRACHE
SCHEMBL7609667 0.79 CYP2C19 (0.34) CYP2C19BLMPOLBATMTSHR
SCHEMBL9128807 0.79 CYP1A2 (0.47) CYP2C19BLMPOLBATMMAPT
SCHEMBL26860954 0.79 MGLL (0.41) MGLLADRA2AADRA1ABLMMAPT
SCHEMBL15356087 0.79 TSHR (0.42) MGLLADRA2AADRA1ABLMMAPT
SCHEMBL3490443 0.76 ALDH1A1 (0.46) CYP2C19BLMPOLBATMTSHR
SCHEMBL10826598 0.76 PAM (0.48) CYP2C19BLMPOLBATMMAPT
SCHEMBL20466247 0.76 EPHX2 (0.46) MGLLADRA2AADRA1AMAPTDGKA
SCHEMBL3088961 0.75 MGLL (0.38) MGLLADRA2AADRA1ABLMMAPT

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-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP claimed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO disclosed