SCHEMBL11570834

SCHEMBL11570834

O=C1CN(Cc2ccccc2O)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.49
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
DAO P14920 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
BRD4 O60885 1/20 0.40
HSPA5 P11021 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
FAAH O00519 1/20 0.38
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6938726 0.80 EPHX2 (0.42) KDM4EEPHX2SIRT2SIRT1DDB1
SCHEMBL15973191 0.80 KMT2A (0.58) KDM4EEPHX2SIRT2SIRT1DDB1
SCHEMBL8633466 0.80 CYP1A2 (0.50) KDM4EEPHX2DDB1CRBNCYP2D6
SCHEMBL8128225 0.78 DAO (0.48) DAOCYP2D6CA12POLB
SCHEMBL7696982 0.76 EPHX2 (0.39) KDM4EEPHX2DDB1CRBNCYP2D6
SCHEMBL9850086 0.75 DDB1 (0.69) EPHX2DDB1CRBNCYP2D6TSHR
SCHEMBL1011633 0.75 DDB1 (0.69) EPHX2DDB1CRBNCYP2D6TSHR
SCHEMBL9850110 0.74 DDB1 (0.67) EPHX2DDB1CRBNCYP2D6TSHR
SCHEMBL28757730 0.72 EPHX2 (0.47) EPHX2DDB1CRBNDAOTSHR
SCHEMBL23629780 0.71 MPO (0.64) MPOKDM4EFAAHALDH1A1

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
CN-104130247-B Human T 2 R bitterness receptors and application thereof 塞诺米克斯公司 2018-06-01 CN disclosed
US-4175206-A Process for preparing a hydroxyphenylglycine compound TANABE SEIYAKU CO., LTD. (JP) 1979-11-20 US disclosed