SCHEMBL28678581

SCHEMBL28678581

CC1=Cc2c(ccc(C)c2-c2ccccc2)C1[Zr]C1C(c2ccc(C)o2)=Cc2c1ccc(C)c2-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 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
SCHEMBL28675679 0.90 PTGS1 (0.35) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL22499663 0.89 PTGS1 (0.34) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL18393704 0.89 PTGS1 (0.34) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL22499690 0.88 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL22499655 0.81 PTGS1 (0.40) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL6898578 0.81 ALDH1A1 (0.37) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL2235899 0.80 PTGS1 (0.42) PTGS1PTGS2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28668206 0.80 PTGS1 (0.39) PTGS1PTGS2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28655715 0.80 PTGS1 (0.36) PTGS1PTGS2MEN1KMT2AADORA2A
SCHEMBL28655714 0.79 PTGS1 (0.35) PTGS1PTGS2

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
CN-113631591-A Method for producing catalyst component for olefin polymerization, method for producing catalyst for olefin polymerization, and method for producing olefin polymer 日本聚丙烯株式会社 2021-11-09 CN disclosed