SCHEMBL21047495

SCHEMBL21047495

[Li]C(CCCCC)(c1ccccc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 4/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KIF11 P52732 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
GAA P10253 1/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EBP Q15125 1/20 0.35

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
SCHEMBL134012 0.91 SIGMAR1 (0.40) KIF11SIGMAR1GAAMEN1KMT2A
SCHEMBL20656591 0.90 CNR2 (0.39) HDAC3HDAC1HDAC2CNR2CNR1
SCHEMBL28368077 0.86 KIF11 (0.47) CNR2CNR1KIF11SIGMAR1GAA
Dimethylamine SCHEMBL21065756 0.86 GAA (0.40) KIF11SIGMAR1GAAMEN1KMT2A
SCHEMBL8416734 0.85 KIF11 (0.41) KIF11SIGMAR1MEN1KMT2A
SCHEMBL21047519 0.85 KIF11 (0.51) CNR2CNR1KIF11SIGMAR1GAA
SCHEMBL11438112 0.84 SCN5A (0.38) CNR2CNR1KIF11SIGMAR1GAA
SCHEMBL28368700 0.83 SIGMAR1 (0.41) KIF11SIGMAR1ALDH1A1EBP
Tert-Butylbenzene SCHEMBL28769972 0.83 TAAR1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21047509 0.82 SLC2A1 (0.38) HDAC3HDAC1HDAC2HDAC8SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891985-B Use of specific aminosilyl monomers in rubber manufacture 盛禧奥欧洲有限责任公司 2023-02-17 CN claimed
CN-111032697-B In situ polymer blends for tires 盛禧奥欧洲有限责任公司 2022-07-05 CN claimed
CN-109415447-B Silane-mediated enhancement of rubber storage stability 盛禧奥欧洲有限责任公司 2021-06-15 CN claimed
CN-111032697-A In situ polymer blends for tires 盛禧奥欧洲有限责任公司 2020-04-17 CN claimed
CN-110891985-A Use of specific aminosilyl monomers in rubber manufacture 盛禧奥欧洲有限责任公司 2020-03-17 CN claimed
CN-111032697-B In situ polymer blends for tires 盛禧奥欧洲有限责任公司 2022-07-05 CN disclosed
CN-109415447-B Silane-mediated enhancement of rubber storage stability 盛禧奥欧洲有限责任公司 2021-06-15 CN disclosed
CN-111032697-A In situ polymer blends for tires 盛禧奥欧洲有限责任公司 2020-04-17 CN disclosed
US-20190169406-A1 SILANE-MEDIATED ENHANCEMENT OF RUBBER STORAGE STABILITY TRINSEO EUROPE GMBH (CH) 2019-06-06 US disclosed