SCHEMBL9685987

SCHEMBL9685987

CC(=O)c1cc(C)c2c(c1)-c1ccccc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.67
S100A4 P26447 1/20 0.60
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45
PTPRC P08575 2/20 0.45
ELANE P08246 1/20 0.44
ALDH1A1 P00352 3/20 0.41
STAT3 P40763 2/20 0.41
MAOB P27338 1/20 0.41
MAOA P21397 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL26115802 0.83 TTR (0.61) TTRS100A4MAPTMITFPTPRC
SCHEMBL9423356 0.81 S100A4 (0.57) TTRS100A4MAPTLMNAMITF
SCHEMBL8668950 0.77 ELANE (0.53) TTRS100A4MAPTLMNAHTT
SCHEMBL2599394 0.75 S100A4 (1.00) TTRS100A4MAPTLMNAHTT
SCHEMBL9423385 0.75 S100A4 (0.93) TTRS100A4MAPTLMNAHTT
SCHEMBL8014885 0.75 S100A4 (0.86) TTRS100A4MAPTLMNAPTPRC
SCHEMBL6259661 0.75 S100A4 (0.93) TTRS100A4MAPTLMNAHTT
SCHEMBL31268599 0.75 S100A4 (0.86) TTRS100A4MAPTLMNAPTPRC
SCHEMBL1712674 0.73 TTR (0.88) TTRMAPTLMNAHTTPTPRC
SCHEMBL10881228 0.73 S100A4 (0.82) TTRS100A4MAPTPTPRCELANE

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
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed