SCHEMBL5693353

SCHEMBL5693353

COc1c(O)ccc(/C=C/c2ccc(C(=O)O)cc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.49
XDH P47989 1/20 0.48
APP P05067 1/20 0.47
PTPN1 P18031 2/20 0.46
CYP19A1 P11511 1/20 0.46
MKNK2 Q9HBH9 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
CASP6 P55212 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 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
SCHEMBL5693354 1.00 CXCL12 (0.49) CXCL12XDHAPPPTPN1CYP19A1
SCHEMBL5692799 0.90 CXCL12 (0.43) CXCL12XDHAPPPTPN1MKNK2
SCHEMBL5692812 0.90 CXCL12 (0.43) CXCL12XDHAPPPTPN1CYP19A1
SCHEMBL5692816 0.90 CXCL12 (0.43) CXCL12XDHAPPPTPN1CYP19A1
SCHEMBL5692797 0.90 CXCL12 (0.43) CXCL12XDHAPPPTPN1MKNK2
SCHEMBL4254562 0.85 CYP19A1 (0.64) XDHAPPCYP19A1ABCG2POLB
SCHEMBL28305286 0.83 NFE2L2 (0.58) CYP19A1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL28769036 0.83 NFE2L2 (0.58) CYP19A1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL5692821 0.82 MAOB (0.42) CXCL12PTPN1ABCG2HTTCYP1A1
SCHEMBL5692817 0.82 MAOB (0.42) CXCL12PTPN1ABCG2HTTCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905164-B1 Liquid crystalline polyester compositions and their uses NIPPON MITSUBISHI OIL CORP (JP) 2006-05-03 EP disclosed
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed
EP-0905164-A2 Liquid crystalline polyesters, their composition, and their uses NIPPON OIL CO., LTD. (JP) 1999-03-31 EP disclosed