SCHEMBL8634758

SCHEMBL8634758

COC(=O)COc1ccc(C(C)=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLK1 P53350 1/20 0.48
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
MCL1 Q07820 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3581702 0.88 CDC25B (0.52) CNR2CNR1HTTSMN1; SMN2PLK1
SCHEMBL7401823 0.84 ALDH1A1 (0.57) CNR2CNR1SMN1; SMN2HPGDSKDM4E
SCHEMBL7394786 0.84 HPGDS (0.69) CNR2CNR1HTTSMN1; SMN2PLK1
SCHEMBL10900892 0.83 CASP3 (0.47) CNR2CNR1HTTSMN1; SMN2KDM4E
SCHEMBL10898603 0.81 IDO1 (0.54) CNR2CNR1HTTSMN1; SMN2KDM4E
SCHEMBL10903024 0.81 CASP3 (0.61) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL11286223 0.81 LMNA (0.60) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL7905505 0.81 CNR2 (0.54) CNR2CNR1PLK1HPGDSKDM4E
SCHEMBL29938478 0.81 LMNA (0.60) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL13209708 0.80 LMNA (0.51) CNR2CNR1HTTSMN1; SMN2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed