SCHEMBL10536611

SCHEMBL10536611

O[C](O)C(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
MAPK1 P28482 1/20 0.62
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
DPP4 P27487 2/20 0.43

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
SCHEMBL10865453 1.00 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL29392498 0.77 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
SCHEMBL4882534 0.77 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL5313046 0.77 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL255601 0.77 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
SCHEMBL24445380 0.77 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL29777368 0.77 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
SCHEMBL9317680 0.77 LMNA (0.56) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL21647917 0.77 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
SCHEMBL4525849 0.77 LMNA (0.56) LMNAMAPK1CES2CES1HPGD

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-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP claimed
US-4795627-A AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION UNIVERSITY OF PITTSBURGH (US) 1989-01-03 US disclosed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP disclosed