SCHEMBL8079929

SCHEMBL8079929

c1ccc(COC(OCc2ccccc2)OC(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6774650 0.90 TSHR (0.57) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL70290 0.87 TSHR (0.44) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL19223076 0.81 TSHR (0.48) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL29048522 0.80 CETP (0.48) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL28528176 0.79 THRB (0.48) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL6025944 0.76 TSHR (0.48) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL10583515 0.76 CA1 (0.44) TSHRIDO1CYP1A2CYP2C19MEN1
SCHEMBL96685 0.76 TSHR (0.48) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL3701482 0.76 TSHR (0.48) TSHRIDO1AGXTSLC1A3SLC1A2
SCHEMBL10344292 0.75 TSHR (0.52) TSHRIDO1AGXTSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752430-B1 Acetal polymers and use thereof in photosensitive compositions and lithographic printing plates KODAK POLYCHROME GRAPHICS LLC (US) 2000-09-20 EP disclosed
US-5985996-A POLYMER BINDER OF COPOLYMERS OF VINYL ALCOHOL, VINYL ESTER AND ACETAL RESINS KODAK POLYCHROME GRAPHICS LLC (US) 1999-11-16 US disclosed
US-5700619-A PHOTOSENSITIVE COMPOSITION COMPRISING DIAZONIUM POLYCONDENSATION PRODUCT AND/OR FREE RADICAL POLYMERIZABLE SYSTEM CONSISTING OF PHOTOINITIATORS AND POLYMERIZABLE COMPONENTS, POLYVINYL ACETAL BINDER HAVING FREE ACID GROUP SUN CHEMICAL CORPORATION (US) 1997-12-23 US disclosed
US-4438189-A POLYUNSATURATED COMPOUND, CROSSLINKABLE EPOXY OR METHYLOL COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed