SCHEMBL140544

SCHEMBL140544

CCCC1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)(Cl)(=C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C1C(CCC)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRIN2C Q14957 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
ESRRG P62508 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
SCHEMBL137373 0.92 GRIN2C (0.34) CCKARCCKBRNPC1RAB9AGRIN2C
SCHEMBL143669 0.90 SMN1; SMN2 (0.31)
SCHEMBL142312 0.89 LMNA (0.36) L3MBTL1
SCHEMBL142004 0.88 LMNA (0.35) L3MBTL1
SCHEMBL141098 0.85 GRIN2C (0.35) CCKARCCKBRNPC1RAB9AGRIN2C
SCHEMBL6466715 0.85 BRD4 (0.31)
SCHEMBL139930 0.81 SMN1; SMN2 (0.32)
SCHEMBL140970 0.81 PDCD1 (0.31) L3MBTL1
SCHEMBL6461458 0.81 BRD4 (0.32)
SCHEMBL137810 0.80 LMNA (0.37) NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415792-B1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME MITSUI CHEMICALS INC (JP) 2014-11-12 EP disclosed
US-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed
EP-2415792-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 EP disclosed