SCHEMBL9538508

SCHEMBL9538508

CCCCC1CC[C@@H]([C]=O)N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.44
S1PR4 O95977 3/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR5 Q9H228 3/20 0.44
CYP1A2 P05177 1/20 0.33
GLB1 P16278 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9538511 1.00 S1PR2 (0.44) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8030871 0.79
SCHEMBL8030874 0.79
SCHEMBL10974751 0.79 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823590 0.74 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL21984539 0.74 S1PR2 (0.61) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3118704 0.73 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8818981 0.73 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3118701 0.73 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8818989 0.73 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5

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