SCHEMBL11066257

SCHEMBL11066257

O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 9/20 0.55
▸ CTSB P07858 9/20 0.55
▸ TACR1 P25103 2/20 0.52
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CAPN1 P07384 1/20 0.50

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
SCHEMBL9752532 0.96 CTSL (0.52) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7594443 0.86 PRSS1 (0.49) CTSLCTSBCTSS
SCHEMBL25428674 0.86 EPHX2 (0.59) CTSLCTSBCTSSCTSK
SCHEMBL5394657 0.85 NMBR (0.61) TACR1ALDH1A1
SCHEMBL5394660 0.85 NMBR (0.61) TACR1ALDH1A1
SCHEMBL9158591 0.85 ITGB3 (0.48) CTSL
SCHEMBL7327394 0.82 CTSL (0.57) CTSLCTSBTACR1CTSSCTSK
SCHEMBL10793551 0.82 CTSL (0.57) CTSLCTSBTACR1CTSSCTSK
SCHEMBL1715348 0.82 CTSL (0.57) CTSLCTSBTACR1CTSSCTSK
SCHEMBL7326904 0.80 CTSL (0.57) CTSLCTSBCTSSCTSKCAPN1

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
US-4480030-A BLOOD-COAGULATION FACTOR XA PENTAPHARM A.G. (CH) 1984-10-30 — — US disclosed
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