SCHEMBL9535447

SCHEMBL9535447

CCC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.59
CTSL P07711 4/20 0.56
CTSS P25774 3/20 0.51
CTSK P43235 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSB P07858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
KYNU Q16719 1/20 0.47

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
SCHEMBL9535457 1.00 SIRT2 (0.59) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL4342016 0.90 SIRT2 (0.57) SIRT2CTSLCTSSCTSKCTSB
SCHEMBL4342009 0.90 SIRT2 (0.57) SIRT2CTSLCTSSCTSKCTSB
SCHEMBL9538601 0.89 SIRT2 (0.64) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL9537095 0.87 CTSL (0.58) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL9537091 0.87 CTSL (0.58) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL24853552 0.87 CTSK (0.63) SIRT2CTSLCTSSCTSKCTSB
SCHEMBL29248976 0.87 CTSK (0.63) SIRT2CTSLCTSSCTSKCTSB
SCHEMBL6946904 0.87 CTSL (0.61) SIRT2CTSLCTSK
SCHEMBL20211867 0.87 CTSL (0.61) SIRT2CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182262-B1 NONA AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
EP-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 EP disclosed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 EP disclosed
US-4581169-A Nona-peptide and deca-peptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-04-08 US disclosed
US-4481190-A LUTEINIZING HORMONE RELEASING HORMONE SYNTEX (U.S.A.) INC. (US) 1984-11-06 US disclosed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 EP disclosed