SCHEMBL9632433

SCHEMBL9632433

OCC1c2ccccc2Cc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.63
HRH1 P35367 12/20 0.63
HTR2C P28335 2/20 0.63
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
RET P07949 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL9875531 0.86 HTR2A (0.63) HTR2AHRH1HTR2CRET
SCHEMBL4653844 0.84 ANPEP (0.53) HTR2AHRH1HTR2CRETHDAC4
SCHEMBL6112254 0.84 ANPEP (0.53) HTR2AHRH1HTR2CRETHDAC4
SCHEMBL24631299 0.83 HTR2A (0.66) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL11526876 0.80 HTR2A (0.40) HTR2AHRH1HTR2CRET
SCHEMBL8994177 0.78 HTR2A (0.66) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL7003538 0.77 HTR2A (1.00) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL29365726 0.77 HTR2A (1.00) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL9331557 0.77 HTR2A (0.43) HTR2AHRH1HTR2CRET
SCHEMBL8272136 0.75 HTR2A (0.61) HTR2AHRH1HTR2CHDAC4HDAC7

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
US-5101059-A Xanthene compounds RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-03-31 US disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO disclosed
US-4152356-A SELECTIVE CARBONYLATION OF 9,10-DIHYDROANTHRACENE TO FORM 9-FORMYL-9,10-DIHYDROANTHRACENE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-01 US disclosed