SCHEMBL5598485

SCHEMBL5598485

Cc1cccc(C(C)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KIF11 P52732 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
KCNN4 O15554 4/20 0.36
ALDH1A1 P00352 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
AKR1B10 O60218 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL3400019 0.85 ESR1 (0.48) ESR1ESR2GABRA1GABRB2KIF11
SCHEMBL9346599 0.84 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL3648825 0.83 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPK1
SCHEMBL3740131 0.83 ESR1 (0.42) ESR1ESR2TRPA1ATMGABRA1
SCHEMBL27918575 0.80 ESR1 (0.48) ESR1ESR2GABRA1GABRB2KIF11
SCHEMBL28289641 0.80 TRPA1 (0.39) ESR1ESR2TRPA1ATMGABRA1
SCHEMBL8853833 0.80 TRPA1 (0.39) ESR1ESR2TRPA1ATMGABRA1
SCHEMBL1618598 0.80 KCNN4 (0.43) ESR1ESR2TRPA1ATMGABRA1
SCHEMBL11524886 0.79 TRPA1 (0.41) ESR1ESR2TRPA1ATMGABRA1
SCHEMBL4615965 0.79 KCNN4 (0.46) ESR1ESR2TRPA1ATMGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991006589-A1 NEW ANTI-HIV COMPOUNDS BELONGING TO AURINTRICARBOXYLIC ACID THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-05-16 WO claimed
CN-108291063-B Resin composition containing insecticidal component 创新病媒控制联合集团 2021-04-27 CN disclosed
CN-1782875-B Photosensitive resin composition TORAY INDUSTRIES 2012-05-23 CN disclosed
CN-100555078-C Photosensitive resin composition and with the electronic component and the display device of its preparation TORAY INDUSTRIES (JP) 2009-10-28 CN disclosed
CN-1939125-A Granular agent for hydration SUMITOMO CHEMICAL CO (JP) 2007-04-04 CN disclosed
US-20070003587-A1 Granular pesticidal formulation SUMITOMO CHEMICAL COMPANY, LIMITED 2007-01-04 US disclosed
US-20060272701-A1 Nanotube-organic photoelectric conversion device and methods of making same RENSSELAER POLYTECHNIC INSTITUTE 2006-12-07 US disclosed
CN-1833204-A Photosensitive resin composition, and electronic component and display using same TORAY INDUSTRIES (JP) 2006-09-13 CN disclosed
US-6620421-B1 Excellent in disintegration in water and storage stability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-16 US disclosed
US-6596292-B2 Mixture of dispersant, boron compound, smectite and water soluble carrier SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-22 US disclosed
EP-1166630-B1 Solid pesticidal formulation SUMITOMO CHEMICAL CO (JP) 2003-07-09 EP disclosed
US-20020019441-A1 Solid pesticidal formulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-14 US disclosed
EP-1166630-A1 Solid pesticidal formulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed
CN-1010986-B PHOTO-HARDENING ELECTRO STATIC PRINTING MOULD WITH IMPROVED UMKEHR EFFECT AND ELECTRICITY ERASING ABILITY DU PONT (US) 1990-12-26 CN disclosed
CN-1035005-A Has the photohardenable static printing grand master pattern that improves the reverse transfer and the electrical property that disappears DU PONT (US) 1989-08-23 CN disclosed