SCHEMBL6911205

SCHEMBL6911205

[Li]C1C=C(OC)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.36
CDC25B P30305 3/20 0.36
PTPN1 P18031 1/20 0.36
IDO1 P14902 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP2K7 O14733 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL19117572 0.78 CDC25A (0.37) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL27924201 0.76 GAA (0.38) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL8031035 0.74 HTR6 (0.39) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL13237438 0.74 CDC25A (0.35) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL9755397 0.73 CDC25A (0.38) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL8028884 0.72 GPR3 (0.37) CDC25ACDC25BIDO1GAAALDH1A1
SCHEMBL28467281 0.71 CDC25A (0.36) CDC25ACDC25BPTPN1IDO1GAA
Hydrochloric Acid SCHEMBL8043033 0.69 CYP19A1 (0.33) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL28337780 0.65 HTR6 (0.39) GAAL3MBTL1GPR3
SCHEMBL5865604 0.64 GAA (0.36) CDC25ACDC25BPTPN1IDO1GAA

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-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US disclosed
EP-0923589-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-06-23 EP disclosed
WO-1998006727-A1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-02-19 WO disclosed