SCHEMBL27440895

SCHEMBL27440895

CC(C)(C)OC(=O)OC(=O)c1cccc(CN)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.61
SLC7A5 Q01650 3/20 0.53
HTR2C P28335 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
NR1H2 P55055 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
ENPP2 Q13822 1/20 0.38
CFD P00746 1/20 0.37
RAB9A P51151 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL4928282 0.88 LOXL2 (0.69) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL2316080 0.87 LOXL2 (0.67) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
SCHEMBL27707392 0.85 LOXL2 (0.57) LOXL2SLC7A5NR1H2
SCHEMBL27760277 0.81 ADRB2 (0.47) LOXL2SLC7A5NR1H2
SCHEMBL27796426 0.79 LOXL2 (0.65) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
SCHEMBL27355641 0.79 LOXL2 (0.56) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
SCHEMBL27468465 0.79 LOXL2 (0.47) LOXL2SLC7A5CYP4F2CYP4A11MRGPRX4
SCHEMBL19125577 0.78 LOXL2 (0.58) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
SCHEMBL29451790 0.77 LOXL2 (1.00) LOXL2SLC7A5HTR2CCYP4F2CYP4A11
SCHEMBL307892 0.77 LOXL2 (1.00) LOXL2SLC7A5HTR2CCYP4F2CYP4A11

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
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN disclosed