SCHEMBL28023458

SCHEMBL28023458

CCCCC(C(=O)O)C(=O)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
POLB P06746 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL28022723 0.92 GPR84 (0.52) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28022735 0.92 GPR84 (0.52) ACE2GPR84FFAR1MAPTLCK
SCHEMBL2823201 0.87 TDP1 (0.46) CA2MAPK1ACE2SLC1A3SLC1A2
SCHEMBL8461448 0.81 CA2 (0.37) CA2MAPK1FFAR1POLBSLC1A3
SCHEMBL29135796 0.80 CA2 (0.52) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL39429 0.79 CA2 (0.61) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL4616596 0.78 CA2 (0.50) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL8602831 0.78 TDP1 (0.42) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1280427 0.77 FFAR1 (0.44) ACE2GPR84FFAR1MAPT
SCHEMBL108613 0.77 CA2 (0.58) CA2MAPK1ACE2GPR84FFAR1

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-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN claimed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
CN-104755510-A Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORP LTD 2015-07-01 CN disclosed