SCHEMBL9740853

SCHEMBL9740853

CC(O)CNC(=O)OCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TPSAB1 Q15661 3/20 0.45
PRSS1 P07477 2/20 0.45
PLG P00747 1/20 0.45
LMNA P02545 2/20 0.43
MIF P14174 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 4/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 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
SCHEMBL4473071 0.87 LMNA (0.58) LMNASMN1; SMN2CTSLCTSS
SCHEMBL6216286 0.87 LMNA (0.58) LMNASMN1; SMN2CTSLCTSS
SCHEMBL5640402 0.87 LMNA (0.58) LMNASMN1; SMN2CTSLCTSS
SCHEMBL13590480 0.78 TOP2A (0.54) MEN1KMT2ATPSAB1PRSS1PLG
SCHEMBL9765305 0.78 LMNA (0.51) MEN1KMT2ALMNAMIFSMN1; SMN2
SCHEMBL27268626 0.77 LMNA (0.54) LMNASMN1; SMN2CTSLCTSS
SCHEMBL20434509 0.76 SCN1A (0.48) TPSAB1PRSS1PLGLMNASMN1; SMN2
SCHEMBL24334713 0.76 HTT (0.57) MEN1KMT2ATPSAB1PRSS1LMNA
SCHEMBL452919 0.75 MEN1 (0.55) MEN1KMT2ALMNAMIFESR1
SCHEMBL27635293 0.75 MEN1 (0.55) MEN1KMT2ALMNAESR1ESR2

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-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed