SCHEMBL28340778

SCHEMBL28340778

COc1ccc2c(c1)C=CC2[Zr](C)(C)C1C=Cc2cc(OC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 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
SCHEMBL7545971 0.85 BRD4 (0.42) BRD4HDAC3HDAC1HDAC7HDAC2
SCHEMBL28344074 0.75 BRD4 (0.45) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9440346 0.74 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9440349 0.74 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
SCHEMBL9074416 0.74 HDAC3 (0.48) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6940606 0.74 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10592962 0.74 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7545965 0.72 BRD4 (0.47) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL16144796 0.72 BRD4 (0.43) BRD4HDAC3HDAC1HDAC7HDAC2
SCHEMBL16144797 0.71 BRD4 (0.42) BRD4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891602-A Ultra-high molecular weight polyethylene powder and molded article 旭化成株式会社 2023-10-17 CN disclosed
CN-116622247-A Ultra-high molecular weight polyethylene powder 旭化成株式会社 2023-08-22 CN disclosed
CN-110016727-B Ultra-high molecular weight polyethylene powder and ultra-high molecular weight polyethylene fiber 旭化成株式会社 2021-09-14 CN disclosed
CN-113045694-A Polyethylene resin composition 旭化成株式会社 2021-06-29 CN disclosed
CN-108752607-B High molecular weight polyethylene powder, microporous film and high-strength fiber 旭化成株式会社 2021-04-20 CN disclosed
CN-111868113-A Ultra-high molecular weight polyethylene powder 旭化成株式会社 2020-10-30 CN disclosed
CN-108219242-B Polyethylene powder 旭化成株式会社 2019-12-13 CN disclosed