SCHEMBL21291837

SCHEMBL21291837

Cl[Zr](Cl)(=C(c1ccccc1)c1ccccc1)(C1C=CC=C1c1cccc2ccccc12)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21291849 0.82 TYMS (0.31)
SCHEMBL21291820 0.81 HSP90AA1 (0.32)
SCHEMBL21291828 0.81
SCHEMBL21291841 0.80
SCHEMBL21291846 0.77 MEN1 (0.31) ALDH1A1
SCHEMBL21291831 0.76 RXRA (0.35)
SCHEMBL2860271 0.74 EPHX1 (0.31) EPHX1KDM4EALDH1A1HPGD
SCHEMBL6909725 0.74 SLC22A2 (0.33) ALDH1A1MAPTTSHRATMHSD17B10
SCHEMBL20440912 0.73
SCHEMBL566022 0.73

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
EP-3239196-B1 MULTIMODAL POLYOLEFIN RESIN HAVING HIGH MELT STRENGTH AND MOLDED PRODUCT PREPARED WITH THE SAME DAELIM IND CO LTD (KR) 2019-08-28 EP disclosed