SCHEMBL3277974

SCHEMBL3277974

CCC1C=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)c(C(C)(C)C)cc2-c2cc(C(C)(C)C)c(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
NOD2 Q9HC29 2/20 0.33
NOD1 Q9Y239 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
P2RX1 P51575 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
DDR1 Q08345 1/20 0.30
TP53BP1 Q12888 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
SCHEMBL3277301 0.92 NOD2 (0.33) CES2NOD2NOD1ALDH1A1POLB
SCHEMBL5153510 0.91 ACHE (0.33) CES2NOD2NOD1ALDH1A1POLB
SCHEMBL3277383 0.84 NOD2 (0.30) NOD2NOD1
SCHEMBL3273560 0.82
SCHEMBL3277098 0.81
SCHEMBL5157127 0.80 NOD2 (0.33) NOD2NOD1ALDH1A1POLBTAS1R3
SCHEMBL5270535 0.79
SCHEMBL3270908 0.79
SCHEMBL37570 0.77
SCHEMBL3268375 0.77 ACHE (0.34) CES2POLBP2RX1TAS1R3TAS1R1

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
EP-1860149-A1 PROPYLENE POLYMER COMPOSITION, USE THEREOF, AND PROCESS FOR PRODUCTION OF THERMOPLASTIC POLYMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2007-11-28 EP disclosed