SCHEMBL6942892

SCHEMBL6942892

CC(C)(C)c1cc(C2=Cc3cc(C(C)(C)C)ccc3C2[Hf]C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=Cc3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
KIF11 P52732 1/20 0.32
RXRG P48443 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 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
SCHEMBL7025983 0.85 RXRA (0.32) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL6944473 0.85 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL6940387 0.82 RXRB (0.31) RXRB
SCHEMBL7639496 0.81 S1PR1 (0.31) RXRARXRBS1PR1S1PR3
Hydrochloric Acid SCHEMBL6939415 0.79 KIF11 (0.35) RXRARXRBKIF11RXRGALDH1A1
Hydrochloric Acid SCHEMBL6938318 0.78 KIF11 (0.34) RXRARXRBKIF11RXRGS1PR1
SCHEMBL6940300 0.77 RXRA (0.31) RXRARXRBKIF11
SCHEMBL6939419 0.77 RXRA (0.31) RXRARXRBKIF11
SCHEMBL7634910 0.70 CNR1 (0.35) RXRARXRBKIF11RXRGALDH1A1
SCHEMBL6925960 0.69 RXRA (0.33) RXRARXRBKIF11RXRGS1PR1

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
EP-1157047-B1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORP NORTH AMERICA INC (US) 2003-04-23 EP claimed
US-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 US disclosed