SCHEMBL11032508

SCHEMBL11032508

CC(C)(C)OC(=O)N[C@H](Cc1ccc2c(c1)Cc1ccccc1-2)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.60
PTPN1 P18031 3/20 0.52
MME P08473 1/20 0.52
PPARA Q07869 5/20 0.50
CTSS P25774 5/20 0.50
CTSK P43235 4/20 0.50
PPARG P37231 4/20 0.50
CTSB P07858 3/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
MAPK1 P28482 1/20 0.48
PPARD Q03181 2/20 0.48
CTSL P07711 1/20 0.48
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 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
SCHEMBL8657006 1.00 ACE (0.60) ACEPTPN1MMEPPARACTSS
SCHEMBL1712911 0.83 ACE (0.53) ACEMMECTSSCTSBITGB3
SCHEMBL1712913 0.83 ACE (0.53) ACEMMECTSSCTSBITGB3
SCHEMBL10380744 0.83 ACE (0.64) ACEPTPN1PPARACTSSCTSK
SCHEMBL9743083 0.83 ACE (0.57) ACEPTPN1PPARACTSSCTSK
SCHEMBL9743071 0.83 ACE (0.57) ACEPTPN1PPARACTSSCTSK
SCHEMBL8300245 0.82 ACE (0.59) ACEPTPN1PPARACTSSCTSK
SCHEMBL24503036 0.82 KLK5 (0.53) ACEPTPN1CTSSCTSKCTSB
SCHEMBL24503037 0.82 REN (0.52) ACEPTPN1PPARACTSSCTSK
SCHEMBL13170299 0.80 ACE (0.46) ACEPTPN1MMEPPARACTSS

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-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 US disclosed