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SCHEMBL5891082

SCHEMBL5891082

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ MME P08473 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ CACNA1F O60840 1/20 0.30
▸ CACNA1D Q01668 1/20 0.30
▸ CACNA1S Q13698 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RORC P51449 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
SCHEMBL5890476 0.92 — —
SCHEMBL5890772 0.89 P2RX7 (0.33) P2RX7ALDH1A1HPGDRORC
SCHEMBL5890503 0.88 KDM4E (0.33) P2RX7ALDH1A1HPGDRORC
SCHEMBL5890799 0.88 P2RX7 (0.33) P2RX7AKR1C3AKR1C2SMN1; SMN2RORC
SCHEMBL5890317 0.87 — —
SCHEMBL5891083 0.87 — —
SCHEMBL5890556 0.87 — —
SCHEMBL5890875 0.86 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL5890525 0.86 P2RX7 (0.32) P2RX7AKR1C3AKR1C2SMN1; SMN2RORC
SCHEMBL5889741 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