SCHEMBL9752532

SCHEMBL9752532

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccccc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 11/20 0.52
▸ CTSB P07858 9/20 0.52
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ TACR1 P25103 2/20 0.48
▸ CAPN1 P07384 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TYR P14679 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
SCHEMBL11066257 0.96 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9334020 0.83 CTSL (0.56) CTSLCTSBCTSSCTSK
SCHEMBL7594443 0.82 PRSS1 (0.49) CTSLCTSBCTSS
SCHEMBL25428674 0.82 EPHX2 (0.59) CTSLCTSBCTSSCTSK
SCHEMBL5394660 0.82 NMBR (0.61) TACR1ALDH1A1
SCHEMBL5394657 0.82 NMBR (0.61) TACR1ALDH1A1
SCHEMBL9158591 0.82 ITGB3 (0.48) CTSL
SCHEMBL30343691 0.81 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL3065366 0.81 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8433892 0.79 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1

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-1991010733-A1 SYNTHETIC HELIZYME ENZYMES THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1991-07-25 — — WO disclosed
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