SCHEMBL4652113

SCHEMBL4652113

CC1=Cc2c(cc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)cc3c2C=C(C)C3)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2963417 0.77 CRHBP (0.44) TDP2KDM4EHTTSMN1; SMN2
SCHEMBL29949127 0.70 ALDH1A1 (0.33)
SCHEMBL14645967 0.70 ALDH1A1 (0.33)
SCHEMBL15672472 0.68 PDE4B (0.40)
SCHEMBL4203318 0.68 PSMB5 (0.38) SMN1; SMN2
SCHEMBL2962329 0.66 CRHBP (0.32) KDM4ESMN1; SMN2
SCHEMBL2482030 0.66 DHODH (0.37)
SCHEMBL2962655 0.66 AKR1C3 (0.38) KDM4E
SCHEMBL8368488 0.65 CA2 (0.40)
SCHEMBL4312706 0.65 TDP2 (0.36) TDP2SMN1; SMN2

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-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed