SCHEMBL7147241

SCHEMBL7147241

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(O)Cl)c(OP(O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RXRA P19793 7/20 0.31
PPARG P37231 2/20 0.31
RARG P13631 1/20 0.31
RXRB P28702 3/20 0.31
RXRG P48443 3/20 0.31
RARA P10276 2/20 0.30

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
SCHEMBL29130830 0.86 POLB (0.34) HSP90AA1GABRA1GABRB2RXRAPPARG
SCHEMBL4018841 0.86 HSP90AA1 (0.38) HSP90AA1GABRA1GABRB2RXRAPPARG
SCHEMBL9127086 0.83 SMN1; SMN2 (0.42)
SCHEMBL9328498 0.82 ALDH1A1 (0.34) RXRAPPARGRARG
SCHEMBL9328172 0.81 CYP1A2 (0.35) RXRAPPARG
SCHEMBL17285589 0.80 HSP90AA1 (0.35) HSP90AA1GABRA1GABRB2RXRAPPARG
SCHEMBL7149136 0.80 CA1 (0.49)
SCHEMBL18950765 0.79 ALDH1A1 (0.34) HSP90AA1RXRAPPARGRARG
SCHEMBL11525106 0.76 CYP1A2 (0.37) HSP90AA1RXRARXRBRXRGRARA
SCHEMBL11421838 0.76 GABRA1 (0.38) HSP90AA1GABRA1GABRB2RXRAPPARG

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-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