SCHEMBL9856790

SCHEMBL9856790

CNC(CC(Cc1ccccc1Br)c1ccccc1)OC(=O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ANPEP P15144 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 3/20 0.33
KMT2A Q03164 3/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
Lactic Acid SCHEMBL9856782 0.74 TP53 (0.44) HPGDPPARGPPARACTSSCTSK
SCHEMBL9856989 0.68 SLC6A2 (0.46) PPARGSLC6A2SLC6A4POLBALDH1A1
SCHEMBL8502073 0.67 LMNA (0.41) HPGDSLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL23189271 0.67 APAF1 (0.51) HPGDPPARGPPARACTSSCTSK
SCHEMBL31558898 0.67 APAF1 (0.51) HPGDPPARGPPARACTSSCTSK
SCHEMBL1452939 0.67 APAF1 (0.51) HPGDPPARGPPARACTSSCTSK
SCHEMBL10595053 0.65 CTSB (0.44) HPGDPPARGPPARAALDH1A1KMT2A
SCHEMBL5297379 0.65 LMNA (0.43) HPGDSLC6A2SLC6A4POLBALDH1A1
SCHEMBL8437061 0.65 EPHX2 (0.49) HPGDPPARGPPARACTSSCTSK
Hydrochloric Acid SCHEMBL28479104 0.65 CTSS (0.46) HPGDPPARGPPARACTSSCTSK

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed