SCHEMBL8031035

SCHEMBL8031035

COC1=CC(CCC2C=C(OC)c3ccccc32)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 0.35
PTPN1 P18031 1/20 0.35
IDO1 P14902 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAP2K7 O14733 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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 0.76 CDC25A (0.37) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL6443437 0.75 HTR6 (0.33) HTR6
SCHEMBL6911205 0.74 CDC25A (0.36) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL27924201 0.74 GAA (0.38) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL7939907 0.74 HTR6 (0.41) HTR6POLBKDM4ELMNATP53
SCHEMBL13237438 0.73 CDC25A (0.35) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL9755397 0.72 CDC25A (0.38) CDC25ACDC25BPTPN1IDO1GAA
SCHEMBL6129625 0.69 HTR6 (0.39) HTR6GPR3HTR2ACHRM2HTR1A
SCHEMBL28467281 0.69 CDC25A (0.36) CDC25ACDC25BPTPN1IDO1GAA
Hydrochloric Acid SCHEMBL8043033 0.68 CYP19A1 (0.33) 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
US-6087292-A Metallocene catalysts comprising indenyl ligands substituted with electronegative groups TANGOR GMBH (DE) 2000-07-11 US disclosed
US-5763542-A Process for the preparation of an olefin polymer using specific metallocenes TARGOR GMBH (DE) 1998-06-09 US disclosed
US-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0582195-A1 Process for the preparation of polymers using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 EP disclosed