SCHEMBL11039149

SCHEMBL11039149

Nc1ccc2c(O)c(CCC(=O)OC(=O)CCc3ccc4cc(N)ccc4c3O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NSD2 O96028 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NT5E P21589 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL11041512 0.90 HPGD (0.40) HPGDCYP2C19ALDH1A1MAPTNT5E
SCHEMBL11043303 0.75 CTDSP1 (0.41) PLAUHPGDCYP2C19ALDH1A1MAPT
SCHEMBL11039263 0.69 ALDH1A1 (0.37) HPGDCYP2C19NSD2CASP6ALDH1A1
SCHEMBL8411722 0.67 PLAU (0.53) PLAUHPGDCYP2C19NSD2DUSP3
SCHEMBL28574517 0.67 PLAU (0.59) PLAUHPGDCYP2C19NSD2DUSP3
SCHEMBL31634586 0.67 PLAU (0.53) PLAUHPGDCYP2C19NSD2DUSP3
SCHEMBL9614835 0.66 CYP4F2 (0.60) CYP2C19
SCHEMBL18892727 0.65 MTNR1A (0.50) MTNR1A
SCHEMBL2131234 0.65 TKT (0.41) ALDH1A1MAPT
SCHEMBL9713733 0.64 PLAU (0.50) PLAUHPGDCYP2C19NSD2DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472308-A Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group ICI UNITED STATES, INC. (US) 1984-09-18 US disclosed
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US disclosed