SCHEMBL5890772

SCHEMBL5890772

CCCC1=Cc2c(-c3ccccc3C(F)(F)F)cccc2C1[Hf](Cl)(Cl)(B(NC(=O)CC)NC(=O)CC)C1C(CCC)=Cc2c(-c3ccccc3C(F)(F)F)cccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F2R P25116 1/20 0.30
PPARG P37231 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
SCHEMBL5890503 0.95 KDM4E (0.33) P2RX7RORCKDM4EALDH1A1HPGD
SCHEMBL5890407 0.92
SCHEMBL5891082 0.89 P2RX7 (0.32) P2RX7RORCALDH1A1HPGD
SCHEMBL5890350 0.87
SCHEMBL5890126 0.87
SCHEMBL5890098 0.87
SCHEMBL5889789 0.86
SCHEMBL5891132 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890655 0.85 P2RX7 (0.33) P2RX7RORC
SCHEMBL5890799 0.85 P2RX7 (0.33) P2RX7RORC

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