SCHEMBL21233609

SCHEMBL21233609

CCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CASP2 P42575 1/20 0.46
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL25516099 0.93 CASP2 (0.42) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL25516101 0.93 CASP2 (0.42) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL15082721 0.92 SMN1; SMN2 (0.54) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL15888700 0.92 SMN1; SMN2 (0.54) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL2124347 0.91 CASP2 (0.44) TSHRCASP2NAAAALDH1A1FAAH
SCHEMBL21121019 0.89 CASP2 (0.58) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL12508016 0.88 CASP2 (0.61) TSHRCASP2NAAAFAAHEPHX2
SCHEMBL24341463 0.87 CASP2 (0.55) TSHRCASP2RECQLNAAAFAAH
SCHEMBL21538797 0.87 CASP2 (0.60) TSHRCASP2RECQLSMN1; SMN2NAAA
SCHEMBL2122730 0.87 CASP2 (0.50) TSHRCASP2RECQLNAAAALDH1A1

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
EP-2998289-B1 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY NITTO DENKO CORP (JP) 2019-08-07 EP disclosed