SCHEMBL257240

SCHEMBL257240

Bc1ccc(C(=O)O)c(COCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.34
DCLRE1A Q6PJP8 1/20 0.34
DCLRE1B Q9H816 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL256719 0.83 TDP1 (0.41) KDM4EPOLBCA12CA1CA2
SCHEMBL15100730 0.81 POLB (0.43) KDM4EPOLBTSHRHSD17B10ALDH1A1
SCHEMBL12164265 0.76 KDM4E (0.55) KDM4EPOLBTSHRALDH1A1MRGPRX4
SCHEMBL28599971 0.76 TDP1 (0.50) KDM4EPOLBCA12CA1CA2
SCHEMBL256737 0.75 DCLRE1B (0.40) KDM4ECA12CA1CA2CA7
SCHEMBL257679 0.74 HCAR2 (0.39) KDM4ETSHRALDH1A1DCLRE1ADCLRE1B
SCHEMBL24801286 0.74 APEX1 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL9450687 0.74 XDH (0.43) KDM4EPOLBALDH1A1MRGPRX4SMN1; SMN2
SCHEMBL12197595 0.70 KDM4E (0.49) KDM4EPOLBCA12CA1CA2
SCHEMBL13981636 0.70 PTPN1 (0.53) KDM4ECA1CA2CA9TSHR

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
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed