SCHEMBL28041346

SCHEMBL28041346

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
PTAFR P25105 1/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
PTPN5 P54829 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL28031396 0.94 KIF11 (0.42) KIF11PTAFRRXRARXRBPTPN5
SCHEMBL28041355 0.90 RXRA (0.33) KIF11PTAFRRXRARXRB
SCHEMBL730698 0.84 RXRA (0.36) KIF11PTAFRRXRARXRBALDH1A1
SCHEMBL28425655 0.82 RXRA (0.33) KIF11PTAFRRXRARXRB
SCHEMBL6012037 0.79 TSHR (0.36) KIF11PTAFRALDH1A1NPC1PLA2G1B
SCHEMBL27462619 0.79 CYP2A6 (0.36) ALDH1A1
SCHEMBL28041148 0.77
SCHEMBL28041357 0.75 PNMT (0.37)
SCHEMBL6537049 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6650683 0.74 CHEK1 (0.38) ALDH1A1MAPTNPC1NFKB1RAB9A

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-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed