SCHEMBL11236258

SCHEMBL11236258

C=C(C)C(=O)Oc1cccc(OCCCCCCCCOc2cccc(OC(=O)C(=C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLA2G4B P0C869 1/20 0.47
TSHR P16473 1/20 0.46
SMPD1 P17405 3/20 0.46
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
KMT2A Q03164 1/20 0.45
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL6856068 0.94 MTNR1A (0.48) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL218655 0.87 ELANE (0.56) KMT2AELANEALDH1A1
SCHEMBL17033936 0.86 TDP1 (0.63) POLBAPEX1HTTTDP1PLA2G4B
SCHEMBL17033937 0.86 TDP1 (0.63) POLBAPEX1HTTTDP1PLA2G4B
SCHEMBL10891338 0.86 TP53 (0.50) HTTTDP1KMT2AELANEKDM4E
SCHEMBL378966 0.83 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL17037024 0.83 TDP1 (0.58) POLBAPEX1HTTTDP1TSHR
SCHEMBL7924946 0.82 GAA (0.45) MTNR1AKMT2AELANEKDM4EALDH1A1
SCHEMBL14173262 0.82 ELANE (0.51) POLBMTNR1AMTNR1BKMT2AELANE
SCHEMBL26846471 0.82 LMNA (0.59) HTTTDP1KMT2AELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed