SCHEMBL3268375

SCHEMBL3268375

CC1C=C(C(C)(C)C)C=C1[Zr](=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
CES2 O00748 1/20 0.34
TP53 P04637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
P2RX1 P51575 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL2804676 0.88 NPC1 (0.30)
SCHEMBL3270586 0.83 NPC1 (0.31)
SCHEMBL2806627 0.81 KCNK9 (0.31) ACHE
Hydrochloric Acid SCHEMBL811638 0.81 ACHE (0.33) ACHECES2TP53GAA
SCHEMBL5153510 0.81 ACHE (0.33) ACHECES2TP53TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL2586210 0.81 KCNK9 (0.30)
SCHEMBL2803605 0.80
SCHEMBL15184713 0.77 LMNA (0.31)
SCHEMBL3277974 0.77 CES2 (0.33) CES2TAS1R3TAS1R1P2RX1POLB
SCHEMBL16223767 0.76 NPC1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803742-B1 PROCESS FOR PRODUCING PROPYLENE POLYMER MITSUI CHEMICALS INC (JP) 2010-06-23 EP disclosed
US-20080097055-A1 Process for Producing Propylene Polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed