SCHEMBL30901591

SCHEMBL30901591

CCCCC(C)CC1=C(CC(C)CCCC)CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 3/20 0.33
MMP1 P03956 1/20 0.32
PTGIR P43119 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30745652 0.76 POLB (0.37) MAPTALDH1A1POLBHTR2A
SCHEMBL30901551 0.75 CHRM1 (0.32) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL30745654 0.74 SCD (0.44) MAPK1ALDH1A1POLBTP53
SCHEMBL30901546 0.73 SCD (0.52) ALDH1A1POLBTP53
SCHEMBL30901562 0.72 SCD (0.55) ALDH1A1POLBTDP1
SCHEMBL30901575 0.72 SCD (0.55) ALDH1A1POLBTDP1
SCHEMBL30901554 0.71 MAPT (0.37) MAPTACE2CA2MAPK1POLB
SCHEMBL30745653 0.70 KMT2A (0.38) ALDH1A1POLB
Bicarbonate SCHEMBL216624 0.69 CA2 (0.54) MAPTACE2CA2MAPK1ALDH1A1
Bicarbonate SCHEMBL885152 0.69 CA2 (0.54) MAPTACE2CA2MAPK1ALDH1A1

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed