SCHEMBL9199743

SCHEMBL9199743

COC(=O)c1c(C)noc1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ATAD2 Q6PL18 1/20 0.35

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
SCHEMBL9527107 0.83 TSHR (0.48) HTTPOLBHPGDTSHRNPSR1
SCHEMBL9377323 0.80 HTT (0.43) HTTCNR2POLBHPGDTSHR
SCHEMBL9200545 0.78 PTGS1 (0.35) HTTPOLBPTGS1NPSR1ALDH1A1
SCHEMBL9201823 0.78 ALDH1A1 (0.37) HTTPOLBTSHRKMT2AMEN1
SCHEMBL14676577 0.76 HPGD (0.56) HTTCNR2POLBHPGDTSHR
SCHEMBL9199739 0.75 HTT (0.50) HTTCNR2POLBPTGS1HPGD
SCHEMBL8307876 0.71 HTT (0.38) HTTCNR2POLBHPGDTSHR
SCHEMBL13438 0.70 PTGS1 (0.69) HTTPTGS1NPSR1KMT2AMEN1
SCHEMBL371239 0.69 HTT (0.48) HTTCNR2POLBHPGDTSHR
SCHEMBL10446051 0.69 HTT (0.48) HTTCNR2POLBPTGS1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed
EP-0418667-A2 Carboxylic acid amides BASF Aktiengesellschaft (DE) 1991-03-27 EP disclosed