SCHEMBL7623942

SCHEMBL7623942

CC1=Cc2cc3c(cc2C1)C(C)(C)CCC3(C)C.CC1=Cc2cc3c(cc2C1)C(C)(C)CCC3(C)C.C[SiH2]C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.32
RARG P13631 6/20 0.32
RARA P10276 3/20 0.32
RXRA P19793 3/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31

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
SCHEMBL4406365 0.95 RARB (0.34) RARBRARGRARARXRARXRB
SCHEMBL30175873 0.84
SCHEMBL1818812 0.84
SCHEMBL24084730 0.75 RXRA (0.33) RARBRARGRARARXRARXRB
SCHEMBL21776849 0.75 CYP26A1 (0.35) RARBRARGRARARXRARXRB
SCHEMBL29605516 0.75 CYP26A1 (0.35) RARBRARGRARARXRARXRB
SCHEMBL29873435 0.72 RARB (0.40) RARBRARGRARARXRARXRB
SCHEMBL21776799 0.72 RARB (0.40) RARBRARGRARARXRARXRB
SCHEMBL18009559 0.67
SCHEMBL14156956 0.67 PDK2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062219-B1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES DOW CHEMICAL CO (US) 2002-08-28 EP disclosed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6127563-A PREPARING BRIDGED GROUP 4 METAL COMPLEXES CONTAINING A NEUTRAL DIENE LIGAND STARTING FROM THE CORRESPONDING NOVEL, METAL DIENE CONTAINING COMPLEXES BY REACTION THEREOF WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND COMPOUND THE DOW CHEMICAL COMPANY (US) 2000-10-03 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed