SCHEMBL6536760

SCHEMBL6536760

C=C(C)C(=O)OCCc1ccccc1OC(=O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ESR1 P03372 6/20 0.46
ESR2 Q92731 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 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
SCHEMBL27989706 0.86 THRB (0.45) NPSR1TDP1TSHRCA1CA2
SCHEMBL7739852 0.83 ESR1 (0.62) NPSR1ESR1ESR2SMN1; SMN2NPC1
SCHEMBL7059078 0.81 THRB (0.41) NPSR1TDP1TSHRLMNACA1
SCHEMBL17940793 0.81 KMT2A (0.46) NPSR1ESR1ESR2SMN1; SMN2MAPT
SCHEMBL4541500 0.80 ESR1 (0.62) ESR1ESR2SMN1; SMN2NPC1MAPT
SCHEMBL30629783 0.79 NPSR1 (0.59) NPSR1ESR1ESR2SMN1; SMN2MAPT
SCHEMBL7185351 0.79 MTNR1A (0.54) CHRM1ALOX5THRB
SCHEMBL7798062 0.77 TDP1 (0.54) SMN1; SMN2MAPTTDP1TSHRALDH1A1
SCHEMBL10919965 0.77 ESR1 (0.51) NPSR1ESR1ESR2SMN1; SMN2MAPT
SCHEMBL13577806 0.76 ESR1 (0.57) ESR1ESR2SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740466-B1 HIGH SENSITIVITY TO UV, VISIBLE, ANDINFRARED; FOGGING OF THE BACKGROUND IS REDUCED; CLARITY AND HIGH CONTRAST; ADDITION POLYMERIZABLE COMPOUND, AN INDOLE-PYRIMIDINETRIONE METHINE DYE, AN ANIONIC ORGANOBORON COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2004-05-25 US disclosed
US-20020051926-A1 Cyanine-based organic dyes, photopolymerizable compositions, and recording materials FUJI PHOTO FILM CO., LTD. (JP) 2002-05-02 US disclosed