SCHEMBL11441998

SCHEMBL11441998

C=CC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11442578 1.00 PEPD (0.41) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11442579 1.00 PEPD (0.41) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11441995 1.00 PEPD (0.41) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11441997 1.00 PEPD (0.41) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11441910 0.95 PEPD (0.45) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11441913 0.95 PEPD (0.45) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11441912 0.95 PEPD (0.45) PEPDALDH1A1LMNAMEN1BLM
SCHEMBL11456994 0.91 GABRR1 (0.40) PEPDALDH1A1LMNA
SCHEMBL11456993 0.91 GABRR1 (0.40) PEPDALDH1A1LMNA
Acrylic Acid SCHEMBL29384929 0.86 LMNA (0.50) PEPDALDH1A1LMNAMEN1BLM

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-4206137-A Thioalkanoylalkanoic acid compounds E. R. SQUIBB & SONS, INC. (US) 1980-06-03 US disclosed