SCHEMBL21765705

SCHEMBL21765705

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC18A3 Q16572 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL23518555 0.89 MMP1 (0.41) NAAAALDH1A1TSHRMMP1MMP2
SCHEMBL10900634 0.89 MMP1 (0.41) NAAAALDH1A1TSHRMMP1MMP2
SCHEMBL8690677 0.87
SCHEMBL24709888 0.85 NAAA (0.43) NAAAALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL28319299 0.81 SMYD3 (0.36) NAAAALDH1A1MMP1MMP2MMP3
SCHEMBL10929263 0.81 NAAA (0.55) NAAAALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL10929265 0.81 NAAA (0.55) NAAAALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL23270922 0.81 NAAA (0.46) NAAAALDH1A1TSHRMMP1MMP2
SCHEMBL24709887 0.81 MMP1 (0.38) NAAAALDH1A1TSHRMMP1MMP2
SCHEMBL23270918 0.81 NAAA (0.50) NAAAALDH1A1MMP1MMP2MMP3

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