SCHEMBL2821543

SCHEMBL2821543

COc1cc(C(=O)O)ccc1N(C=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TPMT P51580 1/20 0.50
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TTR P02766 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.41
CA3 P07451 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
SCHEMBL156311 0.88 MAPT (0.47) TSHRCA12CA1CA2CA7
SCHEMBL12157436 0.83 HPGD (0.41) TSHRHTTRAB9ALMNAKDM4E
SCHEMBL8058674 0.82 GAA (0.33) CA1CA2LMNAALDH1A1GAA
SCHEMBL6122746 0.82 AR (0.34) CA1CA2LMNAALDH1A1GAA
SCHEMBL3973298 0.82 TSHR (0.39) TSHRLMNAMAPK1KDM4EALDH1A1
SCHEMBL18504886 0.78 ALDH1A1 (0.47) HTTLMNAALDH1A1PKMCYP1A2
SCHEMBL15574025 0.77 CA12 (0.59) TSHRCA12CA1CA2CA4
SCHEMBL3281326 0.75 CA1 (0.65) TSHRCA12CA1CA2CA4
SCHEMBL9673511 0.73 CA12 (0.54) TSHRCA12CA1CA2CA4
SCHEMBL3156748 0.72 TDP1 (0.36) LMNAMAPK1KDM4EALDH1A1

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-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed