SCHEMBL7363658

SCHEMBL7363658

COC(=O)N1CCOC1=S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
MAPT P10636 2/20 0.37
LPO P22079 2/20 0.34
NOTUM Q6P988 2/20 0.34
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL3362031 0.80 NAAA (0.46) GRM5MAPTNAAA
SCHEMBL7831399 0.73 NAAA (0.44) MAPTNOTUMNAAAKDM4EALDH1A1
SCHEMBL9223438 0.73 LPO (0.39) MAPTLPOKDM4EALDH1A1HSD17B10
SCHEMBL6929124 0.67 KDM4E (0.44) MAPTLPOKDM4EALDH1A1HPGD
SCHEMBL13681612 0.66 NOTUM (0.42) GRM5MAPTNOTUMNAAAKDM4E
SCHEMBL11357164 0.66 KMT2A (0.40) MAPTLPOKDM4EALDH1A1HSD17B10
SCHEMBL16335477 0.66 NAAA (0.54) MAPTNOTUMNAAAALDH1A1HPGD
SCHEMBL10374140 0.65 MAPT (0.50) MAPTLPONOTUMKDM4EALDH1A1
SCHEMBL18117001 0.65 NOTUM (0.31) NOTUM
SCHEMBL13681626 0.65 MAPT (0.46) GRM5MAPTNOTUMKDM4EALDH1A1

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed