SCHEMBL8847352

SCHEMBL8847352

CC(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL8847348 1.00 TRPV1 (0.46) TRPV1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL10308597 0.81 TSHR (0.42) TRPV1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL901259 0.81 ALDH1A1 (0.41) TRPV1ALDH1A1SMN1; SMN2MAPTBLM
SCHEMBL5225784 0.81 TSHR (0.42) TRPV1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL12835469 0.79 TSHR (0.41) TRPV1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL16488743 0.78 CTSK (0.47)
SCHEMBL14673155 0.78 CTSK (0.47)
SCHEMBL16488750 0.78 CTSK (0.47)
SCHEMBL14673227 0.78 CTSK (0.47)
SCHEMBL25594806 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTBLMKDM4E

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
EP-0552516-B1 Aqueous synthetic organ-extracts RIEMSCHNEIDER RANDOLPH DR DR P (DE) 1997-09-10 EP disclosed
EP-0552516-A1 Aqueous synthetic organ-extracts SCHÀœLKE & MAYR GMBH (DE) 1993-07-28 EP disclosed