SCHEMBL19789599

SCHEMBL19789599

C=C(F)C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5961872 0.93 HTT (0.48) KMT2ATDP1POLBAPEX1HTT
SCHEMBL14907479 0.92 LMNA (0.41) KMT2ATDP1POLBAPEX1HTT
SCHEMBL19789553 0.91 POLB (0.52) KMT2ATDP1POLBAPEX1HTT
SCHEMBL16133504 0.90 NPC1 (0.51) KMT2ATDP1POLBAPEX1HTT
SCHEMBL803172 0.86 TDP1 (0.56) KMT2ATDP1POLBAPEX1HTT
SCHEMBL11986168 0.85 MAPT (0.38) KMT2ATDP1POLBMAPTL3MBTL1
SCHEMBL26037671 0.84 KMT2A (0.43) KMT2ATDP1MAPTL3MBTL1GAA
SCHEMBL21091143 0.84 POLB (0.52) KMT2ATDP1POLBAPEX1HTT
SCHEMBL14088561 0.84 POLB (0.41) KMT2ATDP1POLBAPEX1HTT
SCHEMBL18869268 0.84 TDP1 (0.54) KMT2ATDP1POLBAPEX1HTT

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
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed