SCHEMBL11348374

SCHEMBL11348374

C=CCNCCC(=O)OCCCCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NAAA Q02083 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
FAAH O00519 3/20 0.45
EPHX2 P34913 4/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DNM1 Q05193 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HPGD P15428 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL7770641 0.95 TSHR (0.47) TSHRNAAADGKAHTR2CFAAH
SCHEMBL7774748 0.88 TSHR (0.49) TSHRNAAADGKAHTR2CFAAH
SCHEMBL12792347 0.82 NAAA (0.60) NAAADGKAHTR2CFAAHEPHX2
SCHEMBL12792422 0.82 NAAA (0.60) NAAADGKAHTR2CFAAHEPHX2
SCHEMBL1439008 0.82 MGAM (0.45) TSHRHPGDNPSR1
SCHEMBL12792401 0.80 NAAA (0.58) TSHRNAAADGKAHTR2CFAAH
SCHEMBL889256 0.80 NAAA (0.58) NAAADGKAHTR2CFAAHEPHX2
SCHEMBL12792361 0.80 NAAA (0.58) NAAADGKAHTR2CFAAHEPHX2
SCHEMBL12792366 0.80 NAAA (0.58) NAAADGKAHTR2CFAAHEPHX2
SCHEMBL889329 0.80 NAAA (0.58) NAAADGKAHTR2CFAAHDNM1

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
US-4273684-A Transparent detergent bar AJINOMOTO CO., INC. (JP) 1981-06-16 US disclosed