SCHEMBL7745103

SCHEMBL7745103

CC1(C)CCCCC1(C(=O)O)C(=O)O.O=C(O)C1CCCCC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.39
GAA P10253 1/20 0.36
SLC6A12 P48065 1/20 0.35
SLC6A11 P48066 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL783114 0.84 FFAR3 (0.43) ALDH1A1LMNASMN1; SMN2
Cyclohexane SCHEMBL6560747 0.82 FFAR3 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL11800203 0.80 FFAR3 (0.43) LMNASMN1; SMN2
SCHEMBL8734101 0.75 GRM2 (0.35) LMNA
Hydrochloric Acid SCHEMBL895756 0.74 PEPD (0.58) PEPDALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL28509149 0.74 PEPD (0.58) PEPDALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL17335737 0.74 PEPD (0.58) PEPDALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL11199871 0.74 PEPD (0.58) PEPDALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL8191592 0.74 PEPD (0.58) PEPDALDH1A1LMNAKDM4EHTT
SCHEMBL6665534 0.73 SLC1A2 (0.35) PEPDGAAALDH1A1LMNAKDM4E

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-6255523-B1 LOW TEMPERATURE CROSSLINKING MCWHORTER TECHNOLOGIES, INC. 2001-07-03 US claimed