SCHEMBL28834278

SCHEMBL28834278

C1=Cc2c(cccc2-c2ccccc2)C1.Cl[Zr]Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MAPK1 P28482 1/20 0.31
ANPEP P15144 1/20 0.31
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL319986 0.93 PRCP (0.40) PRCPCYP2A6CA1CA2HTR1A
SCHEMBL28424140 0.91 PRCP (0.39) PRCPCYP2A6CA1CA2HTR1A
SCHEMBL5348620 0.89 PRCP (0.38) PRCPCYP2A6HTR1AHTR7ALDH1A1
Hydrochloric Acid SCHEMBL29771714 0.89 PRCP (0.38) PRCPCYP2A6HTR1AHTR7ALDH1A1
SCHEMBL6537096 0.89 PRCP (0.34) PRCPCA1CA2HTR1AHTR7
Propane SCHEMBL28734524 0.86 HTR7 (0.37) PRCPHTR1AHTR7
SCHEMBL29767639 0.86 PRCP (0.38) PRCPCYP2A6HTR1AHTR7ALDH1A1
SCHEMBL5356144 0.86 PRCP (0.38) PRCPCYP2A6HTR1AHTR7ALDH1A1
SCHEMBL5350419 0.83 PTGER1 (0.37) PRCPHTR1AHTR7ALDH1A1
SCHEMBL6652499 0.82 ALDH1A1 (0.47) PRCPALDH1A1HPGDMAPK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853964-B Cycloolefin block copolymer and process for producing the same 中国石油天然气股份有限公司 2023-12-22 CN claimed
CN-114853947-B Composite catalyst and application thereof 中国石油天然气股份有限公司 2023-10-27 CN claimed
CN-114853964-A Cycloolefin block copolymer and method for producing the same 中国石油天然气股份有限公司 2022-08-05 CN claimed
CN-114853947-A Composite catalyst and application thereof 中国石油天然气股份有限公司 2022-08-05 CN claimed
CN-114853964-B Cycloolefin block copolymer and process for producing the same 中国石油天然气股份有限公司 2023-12-22 CN disclosed
CN-114853947-B Composite catalyst and application thereof 中国石油天然气股份有限公司 2023-10-27 CN disclosed
CN-114853964-A Cycloolefin block copolymer and method for producing the same 中国石油天然气股份有限公司 2022-08-05 CN disclosed
CN-114853947-A Composite catalyst and application thereof 中国石油天然气股份有限公司 2022-08-05 CN disclosed