SCHEMBL4794872

SCHEMBL4794872

O=C(O)[C@H](CS)N1C(=O)CCCCCCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ACE P12821 2/20 0.33
MME P08473 1/20 0.33
GRIK1 P39086 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5162325 0.90 ALDH1A1 (0.56) ALDH1A1PKMLMNAKMT2AACE
SCHEMBL10703610 0.78 ALDH1A1 (0.36) ALDH1A1PKMLMNACA12CA1
SCHEMBL5705701 0.76 SMN1; SMN2 (0.50) ALDH1A1PKMLMNACA12CA1
SCHEMBL14249718 0.76 ALDH1A1 (0.43) ALDH1A1PKMLMNAKMT2ACA12
SCHEMBL12478991 0.76 ALDH1A1 (0.43) ALDH1A1PKMLMNAKMT2ACA12
SCHEMBL9453802 0.76 ALDH1A1 (0.53) ALDH1A1PKMKMT2AACEMME
SCHEMBL2813031 0.76 ALDH1A1 (0.53) ALDH1A1PKMLMNAKMT2ACA12
SCHEMBL18137281 0.75 MAPT (0.42) ALDH1A1PKMKMT2AACEMME
SCHEMBL6794551 0.75 ALDH1A1 (0.42) ALDH1A1PKMLMNACA12CA1
SCHEMBL542270 0.73 ALDH1A1 (0.50) ALDH1A1PKMLMNACA12CA1

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-2008089256-A2 POLYMERIC THERAPEUTICS CAPPELLA, INC. (US) 2008-07-24 WO disclosed