SCHEMBL8438830

SCHEMBL8438830

N#Cc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.66
CTSL P07711 4/20 0.65
CTSB P07858 3/20 0.65
CTSS P25774 3/20 0.65
CTSK P43235 3/20 0.65
ITGB3 P05106 10/20 0.62
ITGA2B P08514 10/20 0.62
ITGAV P06756 1/20 0.57
GPR34 Q9UPC5 1/20 0.56

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
SCHEMBL8234111 1.00 TACR1 (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL18920606 1.00 TACR1 (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7970776 0.90 CTSL (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5397012 0.89 ITGB3 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL21676550 0.88 CTSS (0.63) TACR1CTSLCTSBCTSSCTSK
SCHEMBL479010 0.88 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL220648 0.88 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL219151 0.88 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7372270 0.88 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL26661077 0.88 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 EP disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 EP disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed