SCHEMBL5891132

SCHEMBL5891132

CCC(=O)NB(NC(=O)CC)[Hf](Cl)(Cl)(C1C(C(C)(C)C)=Cc2c(-c3ccccc3C(F)(F)F)cccc21)C1C(C(C)(C)C)=Cc2c(-c3ccccc3C(F)(F)F)cccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
RORC P51449 1/20 0.31
KMT2A Q03164 1/20 0.30
PPIA P62937 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
SCHEMBL5889810 0.93
SCHEMBL5890110 0.88
SCHEMBL5890260 0.88
SCHEMBL5890799 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890772 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890655 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890803 0.85
SCHEMBL5890730 0.85 SMN1; SMN2 (0.30)
SCHEMBL5890529 0.85 MEN1 (0.31) KMT2A
SCHEMBL5890504 0.85

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-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed