SCHEMBL7401675

SCHEMBL7401675

COC(=O)CN[C@H](C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
TET2 Q6N021 1/20 0.38
TSHR P16473 4/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2903501 0.82 GAA (0.45) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1
SCHEMBL4372563 0.81 CTSK (0.42) TSHRGAA
Hydrochloric Acid SCHEMBL29798612 0.81 GAA (0.43) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL28584781 0.81 GAA (0.43) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1
SCHEMBL16894118 0.81 CTSK (0.42) TSHRGAA
SCHEMBL3958728 0.81 CTSK (0.42) TSHRGAA
SCHEMBL16041452 0.80 ALDH1A1 (0.40) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1
SCHEMBL16041451 0.80 ALDH1A1 (0.40) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1
SCHEMBL20813495 0.80 TSHR (0.44) PLA2G2APLA2G5TSHRSMN1; SMN2CA12
SCHEMBL597202 0.78 SMN1; SMN2 (0.38) PLA2G2APLA2G5TSHRSMN1; SMN2NPSR1

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-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed