SCHEMBL16355251

SCHEMBL16355251

CCCCOCCOCCOCCOCCC(=O)NCCOCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CASP2 P42575 1/20 0.44
EPHX2 P34913 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
NAAA Q02083 1/20 0.42
CNR1 P21554 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PCNA P12004 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
SCHEMBL24514705 0.90 EPHX2 (0.51) SMN1; SMN2CASP2EPHX2CNR1FAAH
SCHEMBL26706549 0.90 SMN1; SMN2 (0.49) SMN1; SMN2CASP2TSHRNAAACNR1
SCHEMBL27410517 0.90 CASP2 (0.52) SMN1; SMN2CASP2EPHX2TSHRNAAA
SCHEMBL19369656 0.89 CASP2 (0.43) SMN1; SMN2CASP2TSHRALDH1A1RECQL
SCHEMBL20470066 0.88 FAAH (0.49) CASP2TSHRALDH1A1RECQLNAAA
SCHEMBL19477862 0.88 CASP2 (0.58) CASP2TSHRALDH1A1RECQLNAAA
SCHEMBL14616456 0.88 SMN1; SMN2 (0.57) SMN1; SMN2EPHX2TSHRALDH1A1RAB9A
SCHEMBL20469919 0.87 CASP2 (0.42) CASP2TSHRALDH1A1RECQLNAAA
SCHEMBL15082721 0.87 SMN1; SMN2 (0.54) SMN1; SMN2CASP2EPHX2TSHRALDH1A1
SCHEMBL15888700 0.87 SMN1; SMN2 (0.54) SMN1; SMN2CASP2EPHX2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed