SCHEMBL9637023

SCHEMBL9637023

CCCCCCCCCCOC[C@H](C)OC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAOB P27338 1/20 0.48
TP53 P04637 1/20 0.48
PLA2G4B P0C869 3/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CTRC Q99895 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RARB P10826 3/20 0.45

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
SCHEMBL9637033 0.99 TSHR (0.52) TSHRMAOBTP53PLA2G4BNR4A1
SCHEMBL9636863 0.91 MAOB (0.52) TSHRMAOBPLA2G4BNR4A1NR4A2
SCHEMBL9637987 0.91 MAOB (0.52) TSHRMAOBPLA2G4BNR4A1NR4A2
SCHEMBL9799716 0.86 ALDH1A1 (0.57) TSHRMAOBNR4A1NR4A2NR4A3
SCHEMBL9346509 0.86 ALDH1A1 (0.57) TSHRMAOBNR4A1NR4A2NR4A3
SCHEMBL9638141 0.86 MAOB (0.55) MAOBTP53PLA2G4BNR4A1NR4A2
SCHEMBL9637978 0.86 MAOB (0.55) MAOBTP53PLA2G4BNR4A1NR4A2
SCHEMBL9489406 0.85 RARB (0.60) TSHRTP53PLA2G4BSMN1; SMN2RARB
SCHEMBL9490043 0.85 RARB (0.60) TSHRTP53PLA2G4BSMN1; SMN2RARB
SCHEMBL9489257 0.85 RARB (0.60) TSHRTP53PLA2G4BSMN1; SMN2RARB

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
EP-0301587-B1 LIQUID CRYSTAL COMPOUNDS AND INTERMEDIATES THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-15 EP disclosed
US-5114615-A Compounds for optical apparatus WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-19 US disclosed
EP-0301587-A1 Liquid crystal compounds and intermediates thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-01 EP disclosed