SCHEMBL5015593

SCHEMBL5015593

CCCN[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 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
SCHEMBL5015591 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53PLA2G2APLA2G5
SCHEMBL2456112 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1
SCHEMBL2456109 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1
SCHEMBL6617589 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1
SCHEMBL2286589 0.86 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1
SCHEMBL2286586 0.86 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1
SCHEMBL24964950 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53PLA2G2APLA2G5
SCHEMBL17715216 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53PLA2G2APLA2G5
SCHEMBL10207610 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53PLA2G2APLA2G5
SCHEMBL27850913 0.84 SMN1; SMN2 (0.51) SMN1; SMN2PLA2G2APLA2G5GPR84FFAR1

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
CN-111737533-B Method, device, storage medium and equipment for processing inspection items 东软集团股份有限公司 2024-02-09 CN disclosed
US-20080188079-A1 METAL-POLISHING COMPOSITION AND CHEMICAL MECHANICAL POLISHING METHOD BY USING THE SAME FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed