SCHEMBL6868615

SCHEMBL6868615

COCOc1cccc(OCOC)c1C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
EGFR P00533 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 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
SCHEMBL6823880 0.81 CA12 (0.57) MAPTRAB9ANPC1CA12CA1
SCHEMBL6863654 0.78 PTPN1 (0.47) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL24446268 0.78 PTPN1 (0.53) PTPN1EGFRALDH1A1CHEK1AURKA
SCHEMBL12704162 0.76 DDX3X (0.34) PTPN1ALDH1A1RAB9ANPC1CA9
SCHEMBL9900440 0.75 PTPN1 (0.46) PTPN1EGFRALDH1A1MAPTCHEK1
SCHEMBL694933 0.74 CA12 (0.49) PTPN1EGFRALDH1A1RAB9ANPC1
SCHEMBL1238271 0.74 PTPN1 (0.47) PTPN1ALDH1A1CHEK1AURKADAPK3
SCHEMBL9901199 0.73 PTPN1 (0.45) PTPN1EGFRALDH1A1CHEK1AURKA
SCHEMBL4208827 0.73 CA9 (0.52) PTPN1CA12CA1CA2CA7
SCHEMBL21207813 0.73 CA12 (0.44) PTPN1ALDH1A1RAB9ANPC1CHEK1

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed