SCHEMBL21765657

SCHEMBL21765657

CCC(=O)O[C@H]1CC[C@@H](OC(=O)CC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP19A1 P11511 4/20 0.42
EPHX1 P07099 2/20 0.42
HTT P42858 2/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SOAT1 P35610 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL2253713 1.00
Hydrochloric Acid SCHEMBL22466294 0.97
SCHEMBL10175028 0.91 NAAA (0.43) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL28793071 0.91 SMYD3 (0.46) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL10174984 0.91 CYP19A1 (0.51) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL13632536 0.91 NAAA (0.43) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL777794 0.91 NAAA (0.43) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL12137089 0.91 NAAA (0.43) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21765704 0.90 CHRM2 (0.44) NAAACHRM2CHRM4CHRM1CHRM3
SCHEMBL97374 0.90 NAAA (0.60) NAAACHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed