SCHEMBL7944346

SCHEMBL7944346

CC(OC(=O)[C@@H](N)CS)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
KIF11 P52732 1/20 0.43
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
MME P08473 3/20 0.39
FFAR1 O14842 1/20 0.39
MMP2 P08253 1/20 0.39
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38

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
SCHEMBL28493116 0.85 HCAR2 (0.49) HCAR2KIF11CYP1A2CYP2D6PKM
SCHEMBL28268220 0.84 HCAR2 (0.47) HCAR2KIF11CYP1A2CYP2D6PKM
SCHEMBL9717076 0.83 KIF11 (0.58) KIF11ANPEPENPEPCYP1A2CYP2D6
SCHEMBL28265844 0.83 ALPI (0.54) HCAR2ANPEPPKMFFAR1PTGS1
SCHEMBL6358026 0.81 KIF11 (0.44) KIF11ANPEPENPEPCYP1A2CYP2D6
SCHEMBL721076 0.81 HCAR2 (0.54) HCAR2CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL721077 0.81 HCAR2 (0.54) HCAR2CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL10336616 0.81 KIF11 (0.43) KIF11ANPEPENPEPCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL858822 0.80 HCAR2 (0.53) HCAR2CYP1A2CYP2D6PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL29787409 0.80 HCAR2 (0.53) HCAR2CYP1A2CYP2D6PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6322964-B1 PEPTIDE FOR USE AS A DIAGNOSTIC TOOL IN DETECTION OF PREFERENTIAL VIRAL DISEASE GENETIC SYSTEMS CORPORATION 2001-11-27 US disclosed
EP-0284383-B2 Synthetic antigens for the detection of aids-related disease caused by LAV-2 GENETIC SYSTEMS CORP (US) 2000-04-05 EP disclosed
US-5166050-A Monoclonal antibodies and peptides useful in treating and diagnosing HIV infections BRISTOL-MYERS SQUIBB COMPANY (US) 1992-11-24 US disclosed
EP-0284383-A1 Synthetic antigens for the detection of aids-related disease caused by LAV-2 GENETIC SYSTEMS CORPORATION (US) 1988-09-28 EP disclosed