SCHEMBL19912243

SCHEMBL19912243

C=C(C)C(=O)OCCCOc1ccc(-c2cc(OC(=O)C(=C)C)cc(-c3ccc(OCCCC)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.48
RARB P10826 5/20 0.44
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 5/20 0.43
RARA P10276 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP19A1 P11511 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15062131 0.96 POLB (0.56) POLBAPEX1HTTTDP1TSHR
SCHEMBL20664307 0.92 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL19917666 0.92 POLB (0.52) POLBAPEX1HTTTDP1TSHR
SCHEMBL17070345 0.92 POLB (0.52) POLBAPEX1HTTTDP1TSHR
SCHEMBL19917680 0.92 POLB (0.52) POLBAPEX1HTTTDP1TSHR
SCHEMBL17072091 0.90 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL19157855 0.89 HTT (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL18621846 0.89 POLB (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL689051 0.88 POLB (0.62) POLBAPEX1HTTTDP1TSHR
SCHEMBL21472345 0.88 POLB (0.53) POLBAPEX1HTTTDP1TSHR

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-20180057743-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-03-01 US disclosed