SCHEMBL19186754

SCHEMBL19186754

C=C(C)CC(=O)Oc1ccc2c(ccc3cc(CCCCOC(=O)C(=C)C)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.36
THRB P10828 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL802755 0.91 POLB (0.45) POLBAPEX1HTTTDP1KDM4E
SCHEMBL18472703 0.88 THRB (0.48) POLBAPEX1HTTTDP1KDM4E
SCHEMBL803176 0.88 POLB (0.43) POLBAPEX1HTTTDP1KDM4E
SCHEMBL19156765 0.87 POLB (0.42) POLBAPEX1HTTTDP1KDM4E
SCHEMBL18432719 0.87 KDM4E (0.52) POLBAPEX1HTTTDP1KDM4E
SCHEMBL18517314 0.86 POLB (0.41) POLBAPEX1HTTTDP1KDM4E
SCHEMBL12321292 0.86 LMNA (0.42) POLBAPEX1HTTTDP1KDM4E
SCHEMBL22426054 0.86 POLB (0.42) POLBAPEX1HTTTDP1KDM4E
SCHEMBL19413811 0.85 POLB (0.46) POLBAPEX1HTTTDP1KDM4E
SCHEMBL15433974 0.85 THRB (0.46) POLBAPEX1HTTTDP1KDM4E

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-9719016-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2017-08-01 US disclosed