SCHEMBL9301255

SCHEMBL9301255

C=CCC(=O)OC(=O)CCCCC(=O)OC(=O)CC=C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 3/20 0.42
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.34
PTGS1 P23219 1/20 0.33
DGKA P23743 1/20 0.31
FAAH O00519 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 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
SCHEMBL29026084 0.92 ABCC4 (0.50) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL9857527 0.90 TSHR (0.58) ALDH1A1LMNATSHRMAPTDGKA
SCHEMBL27416950 0.89 ALDH1A1 (0.50) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL27801536 0.88 TSHR (0.61) ALDH1A1LMNATSHRMAPTDGKA
SCHEMBL16551768 0.88 TSHR (0.61) ALDH1A1LMNATSHRMAPTDGKA
SCHEMBL252925 0.87 HTT (0.35) ALDH1A1LMNATSHRHTTKMT2A
SCHEMBL8520490 0.87 TSHR (0.59) ALDH1A1LMNATSHRMAPTDGKA
SCHEMBL8518941 0.87 TSHR (0.59) ALDH1A1LMNATSHRMAPTDGKA
Ethylene SCHEMBL9240042 0.85 HTT (0.34) ALDH1A1LMNATSHRHTTKMT2A
SCHEMBL5693260 0.82 ALDH1A1 (0.65) ALDH1A1LMNATSHRFAAH

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-5314862-A Thermal transfer recording sheet MITSUBISHI KASEI CORPORATION (JP) 1994-05-24 US disclosed