SCHEMBL4963146

SCHEMBL4963146

O=[C]C(O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
SRC P12931 1/20 0.37
CHRM1 P11229 1/20 0.37
LTA4H P09960 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.35
SRD5A2 P31213 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9155903 0.77 LMNA (0.38) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL7661580 0.76 LTA4H (0.39) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL9757439 0.74 LMNA (0.39) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL11289603 0.73 CHRM1 (0.37) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL8012067 0.73 LTA4H (0.36) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL25261859 0.73 LTA4H (0.36) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL43675 0.73 MTNR1A (0.42) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL7362599 0.73 CA1 (0.37) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL9353539 0.73 MTNR1A (0.42) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL6748173 0.73 TSHR (0.36) MTNR1AMTNR1BGAACYP1A2CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320785-A2 Peptides influencing the activity of the hypophysis of mammalians HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 EP claimed
EP-1691763-A4 CAB MOLECULES GENENCOR INT (US) 2008-03-12 EP disclosed
EP-1511861-A4 METHODS AND COMPOSITIONS FOR MILIEU-DEPENDENT BINDING OF A TARGETED AGENT TO A TARGET GENENCOR INT (US) 2007-12-05 EP disclosed
EP-1735350-A2 ANTI-CEA SCFV - BETA-LACTAMASE CONSTRUCTS (CAB MOLECULES) IN ADEPT GENENCOR INTERNATIONAL, INC. (US) 2006-12-27 EP disclosed
EP-1691763-A2 CAB MOLECULES GENENCOR INTERNATIONAL, INC. (US) 2006-08-23 EP disclosed
WO-2005111078-A9 ANTI-CEA SCFV-BETA-LACTAMASE CONTRUCTS (CAB MOLECULES) IN ADEPT GENENCOR INT (US) 2006-03-30 WO disclosed
EP-1543324-A4 METHODS AND COMPOSITIONS FOR GRAFTING FUNCTIONAL LOOPS INTO A PROTEIN GENENCOR INT (US) 2005-12-14 EP disclosed
WO-2005111078-A2 ANTI-CEA SCFV-BETA-LACTAMASE CONTRUCTS (CAB MOLECULES) IN ADEPT GENENCOR INTERNATIONAL, INC. (US) 2005-11-24 WO disclosed
WO-2005058236-A2 CAB MOLECULES GENENCOR INTERNATIONAL, INC. (US) 2005-06-30 WO disclosed
EP-1543324-A2 METHODS AND COMPOSITIONS FOR GRAFTING FUNCTIONAL LOOPS INTO A PROTEIN GENENCOR INTERNATIONAL, INC. (US) 2005-06-22 EP disclosed
WO-2003105757-A2 METHODS AND COMPOSITIONS FOR MILIEU-DEPENDENT BINDING OF A TARGETED AGENT TO A TARGET GENENCOR INTERNATIONAL, INC. (US) 2003-12-24 WO disclosed
EP-1341908-A2 TARGETED ENZYME PRODRUG THERAPY GENENCOR INTERNATIONAL, INC. (US) 2003-09-10 EP disclosed
EP-1341907-A2 TARGET ENZYMES GENENCOR INTERNATIONAL, INC. (US) 2003-09-10 EP disclosed
WO-2002047717-A9 TARGETED ENZYME PRODRUG THERAPY GENENCOR INT (US) 2003-05-30 WO disclosed
WO-2002048372-A2 TARGET ENZYMES GENENCOR INTERNATIONAL, INC. (US) 2002-06-20 WO disclosed
WO-2002047717-A2 TARGETED ENZYME PRODRUG THERAPY GENENCOR INTERNATIONAL, INC. (US) 2002-06-20 WO disclosed
EP-0575556-A4 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION. HAWAII BIOTECH GROUP (US) 1994-03-21 EP disclosed
EP-0575556-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1993-12-29 EP disclosed
WO-1992016203-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1992-10-01 WO disclosed
EP-0320785-A2 Peptides influencing the activity of the hypophysis of mammalians HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 EP disclosed