SCHEMBL28108507

SCHEMBL28108507

CCCCCOc1cccc2[nH]c(C)c(C(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.47
▸ PTPN1 P18031 2/20 0.44
▸ PPARA Q07869 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ MCL1 Q07820 3/20 0.41
▸ ALB P02768 1/20 0.40

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
SCHEMBL11062587 0.79 CYSLTR2 (0.56) PPARAMEN1KMT2ATDP1LMNA
SCHEMBL23748674 0.76 PPARA (0.50) PTPN1PPARAMEN1KMT2ATDP1
SCHEMBL9504277 0.75 MEN1 (0.52) PTPN1PPARAMEN1KMT2ATDP1
SCHEMBL9502979 0.75 MEN1 (0.52) PTPN1PPARAMEN1KMT2ATDP1
SCHEMBL28423316 0.74 CA12 (0.55) PTPN1PPARAMEN1KMT2ANR1I2
SCHEMBL14531285 0.74 PLA2G2A (0.47) SLC2A1TDP1MAPTPLA2G1BPLA2G2A
SCHEMBL8085939 0.74 MEN1 (0.57) PTPN1PPARAMEN1KMT2ANR1I2
SCHEMBL23748636 0.74 CA12 (0.66) PTPN1PPARAMEN1KMT2ANR1I2
SCHEMBL14339077 0.73 GRK6 (0.48) MEN1KMT2ATDP1MAPTPLA2G1B
SCHEMBL9153749 0.72 LMNA (0.60) PTPN1PPARAMEN1KMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083691-A A kind of preparation method of arbidol HCl 山东罗欣药业集团股份有限公司 2016-11-09 — — CN disclosed
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