SCHEMBL8852648

SCHEMBL8852648

COc1ccccc1C(=O)OBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CTSD P07339 1/20 0.55
MAPT P10636 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
STAT3 P40763 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL48968 0.83 HPGD (0.59) HPGDALDH1A1CTSDMAPTESR1
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.83 TSHR (0.69) HPGDALDH1A1CTSDMAPTNPSR1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.83 TSHR (0.69) HPGDALDH1A1CTSDMAPTNPSR1
SCHEMBL446339 0.83 HPGD (0.59) HPGDALDH1A1CTSDMAPTESR1
SCHEMBL383183 0.83 HPGD (0.59) HPGDALDH1A1CTSDMAPTESR1
SCHEMBL870484 0.83 CTSD (0.62) HPGDALDH1A1CTSDMAPTSTAT3
SCHEMBL27618289 0.82 JAK2 (0.52) HPGDALDH1A1CTSDMAPTESR1
Methyl 2-Methoxybenzoate SCHEMBL30744939 0.82 MAPT (0.67) HPGDALDH1A1CTSDMAPTNPSR1
SCHEMBL27969404 0.81 HSD17B10 (0.67) HPGDALDH1A1MAPTESR1TSHR
SCHEMBL674157 0.80 TSHR (0.50) HPGDALDH1A1TSHRMAPK1HSD17B10

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
US-5610186-A COCONUT OIL SOAP, DIOCTYL SODIUM SULFOSUCCINATE SURFACTANT, WATER WORKMAN LESTER J (US) 1997-03-11 US disclosed
US-5017615-A Dioctyl sodium sulfosuccinate, hendecenoic acid, solvent WORKMAN LESTER J 1991-05-21 US disclosed