SCHEMBL11270813

SCHEMBL11270813

CCC(CO)(CO)COc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.36
NQO1 P15559 1/20 0.35
S1PR1 P21453 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PTGER4 P35408 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 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
SCHEMBL20049402 0.85 LTA4H (0.48) PPARGPPARALTA4HHRH3CYSLTR1
SCHEMBL12012098 0.82 TDP1 (0.52) NQO1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL12980522 0.81 RECQL (0.45) LTA4HMEN1KMT2AALDH1A1LMNA
SCHEMBL10934355 0.80 TSHR (0.42) PPARGPPARALTA4HS1PR1
SCHEMBL15393555 0.79 NPC1 (0.45) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL20767121 0.76 PPARA (0.49) PPARGPPARALTA4HHRH3CYSLTR1
SCHEMBL15391951 0.74 GAA (0.56) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL131727 0.74 NQO1 (0.67) LTA4HNQO1ALDH1A1LMNAMAPK1
SCHEMBL27621051 0.74 MAOB (0.46)
SCHEMBL6229110 0.73 ALDH1A1 (0.58) S1PR1MEN1KMT2AUSP2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022571-B1 PHOTOSENSITIVE MIXTURE AND METHOD OF PRODUCTION OF RELIEF IMAGES HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-22 EP disclosed
US-4311782-A POLYETHER OF ORTHOCARBOXYLIC ESTER HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-19 US disclosed
EP-0022571-A1 Photosensitive mixture and method of production of relief images HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-21 EP disclosed