SCHEMBL20723786

SCHEMBL20723786

O=C1CCC(C(=O)O)N(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACE P12821 7/20 0.34
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL20723785 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2ACETHRBALOX12
SCHEMBL2873012 0.82 ACE (0.35) ALDH1A1SMN1; SMN2ACE
SCHEMBL2873008 0.82 ACE (0.35) ALDH1A1SMN1; SMN2ACE
SCHEMBL2698663 0.82 ACE (0.35) ALDH1A1SMN1; SMN2ACE
SCHEMBL15542290 0.82
SCHEMBL5224593 0.82
SCHEMBL5223810 0.82
SCHEMBL30838604 0.77 HPGD (0.36) ALDH1A1
SCHEMBL30838611 0.77 HPGD (0.36) ALDH1A1
SCHEMBL21224905 0.77 ACE (0.41) ACEREN

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-2019032941-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed