SCHEMBL21980370

SCHEMBL21980370

CC1=CC([Zr](Cl)(Cl)(=C(c2ccccc2)c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C(C)=C1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CASP3 P42574 2/20 0.30
RAB9A P51151 2/20 0.30
SENP8 Q96LD8 2/20 0.30
SENP7 Q9BQF6 2/20 0.30
SENP6 Q9GZR1 2/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL21980358 0.91 KCNK9 (0.33) LMNAKCNK9NPC1ALDH1A1CASP3
SCHEMBL22341322 0.90 LMNA (0.31) LMNAKCNK9
SCHEMBL2868592 0.86 NPC1 (0.32) LMNAKCNK9NPC1ALDH1A1CASP3
SCHEMBL21986499 0.83
SCHEMBL2866152 0.83 KCNK3 (0.31) KCNK9
SCHEMBL2864152 0.83 KCNK3 (0.30) LMNAKCNK9
SCHEMBL2872427 0.82 NPC1 (0.31) NPC1ALDH1A1CASP3RAB9ASENP8
SCHEMBL22572768 0.81 LMNA (0.31) LMNAKCNK9
SCHEMBL21980368 0.81 KCNK9 (0.33) LMNAKCNK9
SCHEMBL2861547 0.81 CA12 (0.31) LMNAKCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660133-B1 POLYALPHAOLEFIN HAVING UNIFORM STRUCTURE AND METHOD OF PREPARING SAME DL CHEMICAL CO LTD (KR) 2022-03-23 EP disclosed
US-11180583-B2 Polyalphaolefin having uniform structure and method of preparing same DL CHEMICAL CO., LTD. (KR) 2021-11-23 US disclosed
US-20200165362-A1 POLYALPHAOLEFIN HAVING UNIFORM STRUCTURE AND METHOD OF PREPARING SAME DAELIM INDUSTRIAL CO., LTD. (KR) 2020-05-28 US disclosed