SCHEMBL21291847

SCHEMBL21291847

COc1cccc(C2=CC=CC2[Zr](Cl)(Cl)(=C(C)C)C2c3ccccc3-c3ccccc32)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
TP53 P04637 3/20 0.32
HSD17B10 Q99714 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
HPGD P15428 2/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 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
SCHEMBL20440912 0.79
SCHEMBL21291838 0.76 HSP90AA1 (0.32) ALDH1A1HSD17B10RAB9A
SCHEMBL21291823 0.76
SCHEMBL20440910 0.75
Hydrochloric Acid SCHEMBL19469127 0.70 KDM4E (0.35) KDM4EALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL6906980 0.69 POLB (0.41) LMNA
SCHEMBL21291837 0.69 EPHX1 (0.32) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL23854485 0.67 POLB (0.35)
SCHEMBL21291849 0.67 TYMS (0.31)
SCHEMBL7611904 0.66 CYP2D6 (0.33)

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