SCHEMBL7149136

SCHEMBL7149136

COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(O)Cl)c(OP(O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TNFRSF1A P19438 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4369204 0.93 CA2 (0.54) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL9192342 0.87 CA1 (0.52) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL17285536 0.84 CA1 (0.49) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL9127086 0.80 SMN1; SMN2 (0.42) CA2ALDH1A1CYP3A4
SCHEMBL7147241 0.80 HSP90AA1 (0.36)
SCHEMBL17270586 0.79 CA1 (0.47) CA1CA2TNFRSF1A
SCHEMBL18202076 0.78 CA1 (0.43) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL10789476 0.78 CA1 (0.57) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL28128152 0.78 CA1 (0.57) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL17267257 0.76 CA1 (0.41) CA1CA2TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525143-B2 Separation of catalyst by membrane filtration UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2003-02-25 US disclosed
US-20020111438-A1 Dendritic macromolecules for metal-ligand catalyzed processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2002-08-15 US disclosed
US-6350819-B1 SEPARATION OF THE DESIRED PRODUCT FROM THE CATALYST IS FACILITATED; HYDROFORMYLATION CATALYST; BRANCHES CONTAIN TERMINAL GROUPS DERIVED FROM ORGANOPHOSPHITES, ORGANOPHOSPHONITES AND/OR ORGANOPHOSPHINITES. UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-02-26 US disclosed