SCHEMBL11276252

SCHEMBL11276252

CCC(CO)(CO)COCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
THRB P10828 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL11283465 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3833176 0.96 ALDH1A1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL18927354 0.91 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12930136 0.91 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8035913 0.91 THRB (0.47) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL537748 0.89 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15898439 0.88 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL16672209 0.86 ALDH1A1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL819129 0.86 ALDH1A1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14198257 0.86 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB

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