SCHEMBL5890799

SCHEMBL5890799

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RORC P51449 1/20 0.31
PDK2 Q15119 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
SCHEMBL5890525 0.93 P2RX7 (0.32) P2RX7AKR1C3AKR1C2SMN1; SMN2RORC
SCHEMBL5889769 0.92
SCHEMBL5891082 0.88 P2RX7 (0.32) P2RX7AKR1C3AKR1C2SMN1; SMN2RORC
SCHEMBL5891219 0.87 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5891029 0.87 S1PR4 (0.31)
SCHEMBL5890625 0.87
SCHEMBL5891132 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890655 0.85 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890772 0.85 P2RX7 (0.33) P2RX7RORC
SCHEMBL5889947 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