SCHEMBL3935650

SCHEMBL3935650

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ TCF4 P15884 2/20 0.45
▸ CTNNB1 P35222 2/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ P4HB P07237 2/20 0.42
▸ GRIN2D O15399 1/20 0.42

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
SCHEMBL2195246 0.86 RAB9A (0.49) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL2892597 0.82 TSHR (0.53) LOXL2TSHRCYP4F2CYP4A11TCF4
SCHEMBL1787501 0.82 ACHE (0.59) LOXL2TSHRCYP4F2CYP4A11TCF4
SCHEMBL548002 0.80 TSHR (0.52) LOXL2TSHRCYP4F2CYP4A11TCF4
SCHEMBL12065517 0.79 LOXL2 (0.54) LOXL2TSHRCYP4F2CYP4A11TCF4
SCHEMBL3933098 0.79 TAS1R3 (0.54) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL29878170 0.78 BRAF (0.47) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL2194184 0.78 LOXL2 (0.46) LOXL2TSHRCYP4F2CYP4A11TCF4
SCHEMBL1697911 0.78 BRAF (0.47) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL2159023 0.78 LOXL2 (0.49) LOXL2TSHRCYP4F2CYP4A11TCF4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 — — EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
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