SCHEMBL2806272

SCHEMBL2806272

CC(O)COc1ccc(C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
RRM1 P23921 1/20 0.44
MAOA P21397 2/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
MTOR P42345 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL577071 0.76 ALDH1A1 (0.53) MAOASMN1; SMN2HPGDMAPTNPC1
SCHEMBL30985950 0.76 ALDH1A1 (0.53) MAOASMN1; SMN2HPGDMAPTNPC1
SCHEMBL5949941 0.76 LMNA (0.78) LMNAPTGS1CYP2D6ADRB2ADRB1
SCHEMBL8681925 0.75 ESR1 (0.44) ESR1ESR2
SCHEMBL1618880 0.74 LMNA (1.00) LMNAMAOAPTGS1KMT2ACYP2D6
SCHEMBL2943775 0.74 LMNA (1.00) LMNAMAOAPTGS1KMT2ACYP2D6
SCHEMBL50453 0.74 LMNA (1.00) LMNAMAOAPTGS1KMT2ACYP2D6
SCHEMBL3254859 0.74 LMNA (1.00) LMNAMAOAPTGS1KMT2ACYP2D6
SCHEMBL8686830 0.74 ESR1 (0.43) ESR1ESR2
SCHEMBL577600 0.74 PRKAB2 (0.37) RRM1MAOASMN1; SMN2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2180014-B1 Method for producing thermoplastic resin, polyester resin and polycarbonate resin, and their applications MITSUBISHI GAS CHEMICAL CO (JP) 2011-12-14 EP disclosed
EP-2180014-A1 Method for producing thermoplastic resin, polyester resin and polycarbonate resin, and their applications MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-04-28 EP disclosed