SCHEMBL9402856

SCHEMBL9402856

CC(C)(C)c1ccc(OP(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
APEX1 P27695 1/20 0.37
KIF11 P52732 4/20 0.34
CYP2C9 P11712 2/20 0.33
HSD17B2 P37059 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DHODH Q02127 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 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
SCHEMBL7615609 0.95 APEX1 (0.34) RXRARXRBAPEX1KIF11CYP2C9
SCHEMBL6819958 0.91 APEX1 (0.40) RXRARXRBAPEX1KIF11CYP2C9
SCHEMBL1132092 0.90 APEX1 (0.36) RXRARXRBAPEX1KIF11CYP2C9
SCHEMBL7615315 0.89 APEX1 (0.39) RXRARXRBAPEX1KIF11CYP2C9
SCHEMBL7621153 0.88 CA1 (0.33) APEX1KIF11CA1CA2CA9
SCHEMBL27737111 0.87 RXRA (0.38) RXRARXRBAPEX1KIF11CYP2C9
SCHEMBL7644494 0.87 CYP1A2 (0.35) RXRARXRBAPEX1RARARARB
SCHEMBL205802 0.83 CA1 (0.35) RXRARXRBAPEX1KIF11CA1
SCHEMBL29355846 0.83 CA1 (0.35) RXRARXRBAPEX1KIF11CA1
SCHEMBL21018012 0.82 APEX1 (0.32) RXRARXRBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281640-A For thermoplastic or thermosetting plastics, polymer-containing polymerized mono- or diolefin molding materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed