SCHEMBL8316692

SCHEMBL8316692

O=C(O)CC(=O)CCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
MMP12 P39900 1/20 0.49
TSHR P16473 1/20 0.48
FOLH1 Q04609 1/20 0.48
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KEAP1 Q14145 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1988984 0.90 EPHX2 (0.48) SMN1; SMN2HTTMMP12TSHRFOLH1
SCHEMBL7708032 0.89 TSHR (0.56) SMN1; SMN2HTTTSHRFOLH1LMNA
SCHEMBL27795888 0.87 EPHX2 (0.46) SMN1; SMN2HTTMMP12TSHRFOLH1
SCHEMBL9152709 0.86 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRFOLH1LMNA
SCHEMBL508419 0.85 TSHR (0.56) SMN1; SMN2HTTMMP12TSHRFOLH1
SCHEMBL6508631 0.85 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRFOLH1LMNA
SCHEMBL19987762 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HTTTSHRFOLH1LMNA
SCHEMBL28739368 0.84 ALDH1A1 (0.52) SMN1; SMN2HTTTSHRLMNAALDH1A1
SCHEMBL15862001 0.84 NPC1 (0.50) SMN1; SMN2HTTTSHRFOLH1LMNA
SCHEMBL14949713 0.83 ALDH1A1 (0.46) SMN1; SMN2HTTTSHRFOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736225-A Continuous preparation method of dorterevir 华东理工大学 2024-03-22 CN claimed
CN-117736225-A Continuous preparation method of dorterevir 华东理工大学 2024-03-22 CN disclosed
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP disclosed
US-5705645-A Hereroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1998-01-06 US disclosed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed