SCHEMBL9538601

SCHEMBL9538601

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.64
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 3/20 0.53
SIRT1 Q96EB6 7/20 0.53
SIRT3 Q9NTG7 6/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL9535447 0.89 SIRT2 (0.59) SIRT2CTSLCTSSCTSKSIRT1
SCHEMBL9535457 0.89 SIRT2 (0.59) SIRT2CTSLCTSSCTSKSIRT1
SCHEMBL11153005 0.86 CTSL (0.61) SIRT2CTSLCTSKSMN1; SMN2
SCHEMBL24853552 0.86 CTSK (0.63) SIRT2CTSLCTSSCTSK
SCHEMBL29248976 0.86 CTSK (0.63) SIRT2CTSLCTSSCTSK
SCHEMBL14213349 0.85 SIRT2 (0.70) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL12243918 0.85 SIRT2 (0.70) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL9537091 0.84 CTSL (0.58) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL9537095 0.84 CTSL (0.58) SIRT2CTSLCTSSCTSKSMN1; SMN2
SCHEMBL20211867 0.84 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