SCHEMBL28355374

SCHEMBL28355374

[CH2]CCCN(CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.47
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SSTR4 P31391 1/20 0.30

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
SCHEMBL5460363 0.91 CA14 (0.53) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL1274075 0.90 CA14 (0.55) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL31324971 0.90 CA14 (0.51) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL10226292 0.88 CA14 (0.54) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL1274108 0.88 CA14 (0.54) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL10226299 0.88 CA14 (0.54) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL17471898 0.85 CA14 (0.48) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL20411857 0.85 CA14 (0.51) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL22123313 0.85 CA14 (0.51) CA14HDAC1HDAC2HDAC6SSTR4
SCHEMBL7202844 0.84 CA14 (0.54) CA14HDAC1HDAC2HDAC6SSTR4

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
CN-110637027-A Modified relaxin polypeptides comprising pharmacokinetic enhancers and uses thereof 百时美施贵宝公司 2019-12-31 CN disclosed