SCHEMBL9675828

SCHEMBL9675828

CC(=O)OCc1nc2ccc(F)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
F10 P00742 1/20 0.49
AMY1A P0DUB6 3/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MPO P05164 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
PIN1 Q13526 1/20 0.43
KCNJ1 P48048 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL9675810 0.89 MAPT (0.45) IDO1F10AMY1AMAOAMAOB
SCHEMBL9673902 0.80 MAPT (0.63) SMN1; SMN2MAPTLMNATSHR
SCHEMBL38662484 0.78 HSD17B10 (0.67) IDO1F10MAOAMAOBMPO
SCHEMBL38661086 0.77 IDO1 (0.59) IDO1F10AMY1AMAOAMAOB
SCHEMBL10271748 0.76 IDO1 (0.66) IDO1F10AMY1AMPOALPL
SCHEMBL31345724 0.76 IDO1 (0.66) IDO1F10AMY1AMPOALPL
SCHEMBL6640558 0.76 IDO1 (0.66) IDO1F10AMY1AMPOALPL
SCHEMBL5796915 0.75 IDO1 (0.50) IDO1F10AMY1AMAOAMAOB
Hydrochloric Acid SCHEMBL5810121 0.74 IDO1 (0.49) IDO1F10MAOAMAOBMPO
SCHEMBL8071539 0.73 HRH4 (0.60) IDO1AMY1AMPOALPLALPI

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-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed