SCHEMBL4577992

SCHEMBL4577992

C=CC(=O)OC(C)Cc1c(C(=O)O)ccc(O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CLCN2 P51788 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCL2L1 Q07817 2/20 0.30
MCL1 Q07820 2/20 0.30

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
SCHEMBL4579462 0.82 CA1 (0.33) TSHRCA2CA1SELLSELP
SCHEMBL8155476 0.76 ALDH1A1 (0.43) TSHRGAAAKR1C2AKR1C1ALDH1A1
SCHEMBL4579754 0.75 CA12 (0.38) TSHRGAASLC22A6SLC22A8CA2
SCHEMBL4579244 0.75 THRB (0.46) TSHRGAACA2CA1AKR1C2
SCHEMBL27976661 0.74 KDM4E (0.51) TSHRGAAALDH1A1MCL1
SCHEMBL28928014 0.74 ACE2 (0.40) TSHRGAACA2CA1ALDH1A1
SCHEMBL4905754 0.74 PPARG (0.45) TSHR
SCHEMBL4578637 0.73 THRB (0.43) TSHRGAACA2CA1SELL
SCHEMBL4579368 0.72 TSHR (0.45) TSHRGAAALDH1A1BCL2L1MCL1
SCHEMBL8649783 0.71 ALDH1A1 (0.34) TSHRGAAALDH1A1

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
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-6022664-A MIXTURE OF A POLYMERIZABLE VINYL MONOMER AND ORGANIC BORATE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2000-02-08 US disclosed