SCHEMBL8934132

SCHEMBL8934132

CC(=O)OC(C)CN[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPT P10636 3/20 0.39
BLM P54132 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MME P08473 5/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL22487801 0.81 TGFBR1 (0.47) TGFBR1MAPTMMEALDH1A1
SCHEMBL21451281 0.77 MME (0.46) TGFBR1MAPTMMEALDH1A1
SCHEMBL21451346 0.77 MME (0.46) TGFBR1MAPTMMEALDH1A1
SCHEMBL21113533 0.77 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23052781 0.77 MME (0.46) TGFBR1MAPTMMEALDH1A1
SCHEMBL23052826 0.73 TGFBR1 (0.41) TGFBR1MAPTMMEALDH1A1
SCHEMBL7775956 0.72 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8934131 0.71 MME (0.51) TGFBR1TSHRMAPTBLMSMN1; SMN2
SCHEMBL8934138 0.71 MME (0.51) TGFBR1TSHRMAPTBLMSMN1; SMN2
SCHEMBL2153285 0.71

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
WO-1996032372-A1 SERINE DERIVATIVES AND USE THEREOF IN COSMETICS SOCHINAZ S.A. (FR) 1996-10-17 WO claimed
WO-1996032372-A1 SERINE DERIVATIVES AND USE THEREOF IN COSMETICS SOCHINAZ S.A. (FR) 1996-10-17 WO disclosed