SCHEMBL2680480

SCHEMBL2680480

NC(=O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
FOLH1 Q04609 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
CPB1 P15086 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL30256967 0.93 TDP1 (0.64) TDP1SMN1; SMN2ECE1SLC22A6GABRR1
SCHEMBL23170133 0.92 TDP1 (0.58) TDP1SMN1; SMN2ECE1GABRR1LMNA
SCHEMBL22151 0.86 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL17517216 0.86 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL16925719 0.86 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL165643 0.86 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL8078228 0.83 TDP1 (0.93) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL269896 0.83 TDP1 (0.93) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL9678882 0.83 TDP1 (0.93) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL9355977 0.83 TDP1 (0.93) TDP1SMN1; SMN2SLC22A6GABRR1LMNA

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
US-20120114873-A1 PROCESS OF PRODUCING AN OPTICAL FILM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed