SCHEMBL6473384

SCHEMBL6473384

CC(C)(C)c1cc(C(c2ccccc2)(c2ccccc2)P(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN5 P54829 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TNFRSF1A P19438 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 3/20 0.42
CA2 P00918 3/20 0.41
ALOX5 P09917 2/20 0.41
PTGS2 P35354 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1766233 0.78 PTPN1 (0.62) PTPN5CYP1A2PTPN1CA2PGK1
SCHEMBL27787249 0.78 MEN1 (0.49) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL1398399 0.75 CA2 (0.50) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL2858798 0.75 ESR1 (0.55) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL3235680 0.75 ALDH1A1 (0.55) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL28722224 0.73 TNFRSF1A (0.51) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL5571064 0.73 KCNN4 (0.52) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL1262470 0.73 ALDH1A1 (0.52) MEN1GAAKMT2ACYP1A2CYP3A4
Phenol SCHEMBL7025701 0.72 CYP3A4 (0.57) MEN1GAAKMT2ACYP1A2CYP3A4
SCHEMBL29059001 0.71 PTPN5 (0.44) PTPN5PTPN1POLBPGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019278-A1 COLOR-STABLE POLYVINYL ACETAL, METHOD FOR THE PRODUCTION AND THE UTILIZATION THEREOF KURARAY SPECIALITIES EUROPE GMBH (DE) 2005-03-03 WO claimed
US-4385170-A Melt-processable copolyamides having aromatic amide unit and fibers prepared therefrom UNITIKA LTD. (JP) 1983-05-24 US disclosed
EP-0041371-A2 Melt-processable copolyamides having aromatic amide unit and fibers prepared therefrom UNITIKA LTD. (JP) 1981-12-09 EP disclosed
US-4298520-A PHOSPHITES OR PHOSPHATES ARGUS CHEMICAL CORP. (US) 1981-11-03 US disclosed
US-4171298-A SUBSTITUTED ORTHO-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS ARGUS CHEMICAL CORPORATION (US) 1979-10-16 US disclosed
US-4145333-A POLYPHOSPHONATES OR PHOSPHONATE COMPOUNDS ARGUS CHEMICAL CORPORATION (US) 1979-03-20 US disclosed