SCHEMBL19202399

SCHEMBL19202399

CC(C)c1ccc2c(O)c(C(=O)O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
EIF4A3 P38919 2/20 0.45
LCK P06239 1/20 0.45
MCL1 Q07820 1/20 0.44
DHODH Q02127 2/20 0.43
IKBKE Q14164 2/20 0.42
TBK1 Q9UHD2 2/20 0.42
AKR1B1 P15121 1/20 0.42
SORT1 Q99523 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GRM1 Q13255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GRM2 Q14416 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL11556630 0.89 LDHA (0.54) LDHAEIF4A3MCL1DHODHIKBKE
SCHEMBL21880321 0.79 PTPN1 (0.60) EIF4A3DHODHIKBKETBK1AKR1B1
SCHEMBL14890205 0.78 LDHA (0.58) LDHALCKMCL1HSD17B10KDM4E
SCHEMBL3391531 0.78 LDHA (0.61) LDHALCKHSD17B10KDM4EALDH1A1
SCHEMBL19203292 0.77 EIF4A3 (0.45) LDHAEIF4A3LCKDHODHAKR1B1
SCHEMBL11419394 0.76 MCL1 (0.46) EIF4A3MCL1DHODHIKBKETBK1
SCHEMBL9862278 0.76 GABRA1 (0.42) EIF4A3AKR1B1ALDH1A1HPGDRNASEH1
SCHEMBL3237472 0.76 PTPN1 (0.61) LDHALCKACE2HSD17B10KDM4E
SCHEMBL1546509 0.75 ALDH1A1 (0.62) EIF4A3HSD17B10KDM4EGRM1ALDH1A1
SCHEMBL1356399 0.75 HSD17B10 (0.60) EIF4A3DHODHSORT1ACE2HSD17B10

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
WO-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed