SCHEMBL30249697

SCHEMBL30249697

O=CC(CSCc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.60
CTSB P07858 6/20 0.57
CTSS P25774 7/20 0.56
CTSK P43235 3/20 0.51
TACR2 P21452 2/20 0.48
POLB P06746 2/20 0.47
CTSH P09668 1/20 0.47
CTSC P53634 1/20 0.47
PSMB11 A5LHX3 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMA1 P25786 1/20 0.46
PSMA2 P25787 1/20 0.46
PSMA3 P25788 1/20 0.46
PSMA4 P25789 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMA5 P28066 1/20 0.46
PSMB4 P28070 1/20 0.46
PSMB6 P28072 1/20 0.46

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
SCHEMBL7031248 0.85 CTSL (0.77) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7031241 0.85 CTSL (0.77) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7026935 0.85 CTSL (0.77) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7026749 0.84 CTSL (0.62) CTSLCTSBCTSSCTSKTACR2
SCHEMBL7026755 0.84 CTSL (0.62) CTSLCTSBCTSSCTSKTACR2
SCHEMBL3013652 0.81 CTSS (0.57) CTSLCTSSCTSKPOLB
SCHEMBL3013656 0.81 CTSS (0.57) CTSLCTSSCTSKPOLB
SCHEMBL15985559 0.77 CTSL (0.54) CTSLCTSBCTSSTACR2
SCHEMBL7275964 0.77 POLB (0.74) CTSLCTSBCTSSTACR2POLB
SCHEMBL5193787 0.77 POLB (0.74) CTSLCTSBCTSSTACR2POLB

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
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed