SCHEMBL28031396

SCHEMBL28031396

CC(C)(C)c1cccc(-c2cccc3c2C=C[CH]3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PTAFR P25105 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
PTPN5 P54829 4/20 0.35
ALDH1A1 P00352 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28041346 0.94 KIF11 (0.39) KIF11PTAFRRXRARXRBPTPN5
SCHEMBL730698 0.89 RXRA (0.36) KIF11PTAFRRXRARXRBALDH1A1
SCHEMBL6012037 0.84 TSHR (0.36) KIF11PTAFRALDH1A1NPC1PLA2G1B
SCHEMBL28041355 0.84 RXRA (0.33) KIF11PTAFRRXRARXRBCNR1
SCHEMBL28425655 0.84 RXRA (0.33) KIF11PTAFRRXRARXRBCNR1
SCHEMBL6537049 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6650683 0.79 CHEK1 (0.38) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL6652749 0.77 PTGER1 (0.38) ALDH1A1HDAC4HDAC2HDAC8NPC1
SCHEMBL26190 0.76 ALDH1A1 (0.37) ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL28031401 0.75 RXRA (0.39) RXRARXRBPTPN5ALDH1A1HDAC4

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
CN-105008408-B METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER 日本聚乙烯株式会社 2017-05-10 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed
CN-105008408-A METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER JAPAN POLYETHYLENE CORP 2015-10-28 CN disclosed