SCHEMBL7787950

SCHEMBL7787950

O=C(O)Cc1ccccc1COc1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.69
FABP5 Q01469 2/20 0.69
TP53 P04637 2/20 0.68
HTT P42858 1/20 0.68
CXCL8 P10145 3/20 0.67
CAMK2A Q9UQM7 1/20 0.57
HPGD P15428 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
NPC1 O15118 2/20 0.53
CHRM1 P11229 1/20 0.51
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7174468 0.83 TP53 (0.58) FABP4FABP5TP53HTTCXCL8
SCHEMBL5664165 0.82 FABP4 (1.00) FABP4FABP5TP53HTTCXCL8
SCHEMBL2601420 0.81 TP53 (1.00) FABP4FABP5TP53HTTHPGD
SCHEMBL4114001 0.81 RXRA (0.55) FABP4FABP5CXCL8RXRARXRB
SCHEMBL8539277 0.78 CFD (0.61) FABP4FABP5CAMK2ASMN1; SMN2NR4A2
SCHEMBL8782065 0.77 TP53 (0.77) FABP4FABP5TP53HTTCXCL8
SCHEMBL6236728 0.77 FABP4 (0.60) FABP4FABP5TP53HTTCXCL8
SCHEMBL29933245 0.77 CXCL8 (0.65) FABP4FABP5CXCL8CAMK2ANPC1
SCHEMBL194831 0.77 CXCL8 (0.65) FABP4FABP5CXCL8CAMK2ANPC1
SCHEMBL5665926 0.76 TP53 (0.78) FABP4FABP5TP53HTTHPGD

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-0846104-B1 ALKOXYACRYLIC ACID THIOL ESTERS USED AS FUNGICIDES BAYER AG (DE) 2001-11-14 EP disclosed
US-6054621-A FOR CONTROLLING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0846104-A1 ALKOXYACRYLIC ACID THIOL ESTERS USED AS FUNGICIDES BAYER AG (DE) 1998-06-10 EP disclosed
WO-1997007096-A1 ALKOXYACRYLIC ACID THIOL ESTERS USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-27 WO disclosed