SCHEMBL22599593

SCHEMBL22599593

CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.70
CTSS P25774 3/20 0.70
CTSK P43235 2/20 0.70
CTSB P07858 1/20 0.70
CAPN1 P07384 1/20 0.62
CAPN2 P17655 1/20 0.62
TACR1 P25103 2/20 0.61
SIRT2 Q8IXJ6 6/20 0.59
SIRT1 Q96EB6 4/20 0.59
SIRT3 Q9NTG7 4/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL16601896 0.95 CTSL (0.67) CTSLCTSSCTSKCTSBSIRT2
SCHEMBL10802560 0.93 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL9113871 0.92 CTSL (0.73) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL30185946 0.90 CTSL (0.64) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL17643540 0.90 CTSL (0.76) CTSLCTSSCTSKCTSBTACR1
SCHEMBL18822607 0.87 CTSL (0.77) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL14598350 0.87 CTSL (0.66) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL9306413 0.87 CTSL (0.64) CTSLCTSSCAPN1CAPN2SIRT2
SCHEMBL14903029 0.87 MEN1 (0.56) CTSLCTSSCTSKCTSBSIRT2
SCHEMBL3615382 0.87 CTSL (0.65) CTSLCTSSCTSKCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020220023-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS FIVE ELEVEN PHARMA INC. (US) 2020-10-29 WO disclosed