SCHEMBL11265544

SCHEMBL11265544

CCC(C)OC(=O)C(=Cc1ccccc1S)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL4928099 0.86 MAPT (0.39) MAPTMEN1KMT2APLIN1LMNA
SCHEMBL3224035 0.83 MEN1 (0.55) MAPTMEN1KMT2ALMNATP53
SCHEMBL8577901 0.78 TP53 (0.58) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL11775139 0.78 MAOB (0.39) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL11565347 0.77 TP53 (0.47) MAPTTP53KDM4E
SCHEMBL4925194 0.76 TDP1 (0.40) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL11819791 0.75 MAPT (0.39) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL435678 0.75 KDM4E (0.46) MAPTMEN1KMT2ALMNATP53
SCHEMBL11781601 0.75 MAPT (0.52) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL10772305 0.75 KDM4E (0.45) MAPTMEN1KMT2ATP53KDM4E

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-4320133-A Penicillins and their antibacterial use SANDOZ LTD. (CH) 1982-03-16 US disclosed