SCHEMBL7028378

SCHEMBL7028378

FC(F)(F)c1ccc(C2=Cc3ccccc3C2[Zr]C2C(c3ccc(C(F)(F)F)cc3)=Cc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CHUK O15111 1/20 0.31
TXNRD1 Q16881 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
SCN2A Q99250 2/20 0.31
TRPV6 Q9H1D0 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
SCHEMBL7632084 0.86 CNR1 (0.35) KIF11ALDH1A1TSHR
SCHEMBL7025710 0.84 KIF11 (0.35) KIF11TSHR
SCHEMBL8026908 0.82 HTR2C (0.33)
SCHEMBL8022719 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7022344 0.81 CYP19A1 (0.31) ALDH1A1
SCHEMBL27468527 0.81 KIF11 (0.46) KIF11BACE1ALDH1A1TSHRCHUK
Chloromethane SCHEMBL3684099 0.80 CYP11B1 (0.32)
SCHEMBL7031934 0.80 NPC1 (0.31) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1980940 0.78 KIF11 (0.43) KIF11BACE1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6287032 0.78 KIF11 (0.43) KIF11BACE1ALDH1A1TSHRCHUK

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-6559262-B1 An elastomeric amorphous-crystalline blocks copolymer of at least one alpha olefin monomor with ethylene having less than 10 mole % ethylene units, said ethylene is incorporated randomly between the olefin units in the polymer chain with a THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY 2003-05-06 US disclosed