SCHEMBL28034308

SCHEMBL28034308

CCC(=O)Oc1c[nH]c2ccc(O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.50
HTR1A P08908 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NFKB1 P19838 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
BLM P54132 3/20 0.50
LMNA P02545 3/20 0.50
HTR1D P28221 3/20 0.50
SLC6A4 P31645 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HTR2B P41595 2/20 0.50
TSHR P16473 2/20 0.50
PMP22 Q01453 2/20 0.50
CYP2C9 P11712 2/20 0.50
HTR1B P28222 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50

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
SCHEMBL27897358 0.84 NR4A2 (0.52) HTR1AHTR2AHTR1DTSHRHTR1B
SCHEMBL19846981 0.83 SLC22A6 (0.64) NPSR1HTR1AALDH1A1NFKB1HTR2A
SCHEMBL27898848 0.82 HTR1D (0.60) HTR1AALDH1A1BLMHTR1DKDM4E
SCHEMBL1332671 0.81 SLC22A6 (0.49) NPSR1HTR1AALDH1A1NFKB1HTR2A
SCHEMBL28918308 0.80 HTR1A (0.50) NPSR1HTR1AALDH1A1NFKB1HTR2A
SCHEMBL352798 0.80 SLC22A6 (0.69) ALDH1A1BLMLMNAKDM4ETSHR
SCHEMBL28034417 0.80 HTT (0.56) NPSR1HTR1AHTR2AHTR1DKDM4E
SCHEMBL28113890 0.79 SLC22A6 (0.67) ALDH1A1BLMLMNAKDM4ETSHR
SCHEMBL31037775 0.75 HTR6 (0.46) HTR1AHTR1DHTR1BALOX15SLC22A6
SCHEMBL27491734 0.75 KDM4E (0.57) HTR1AALDH1A1HTR2AHTR2CHTR1D

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-104936591-A Erythropoietin expression promoter UNIV TOHOKU NAT UNIV CORP 2015-09-23 CN disclosed