SCHEMBL8345333

SCHEMBL8345333

COC(=O)c1ccc(C(=O)O)cc1.C[Ge](C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
RAB9A P51151 6/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 4/20 0.49

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
SCHEMBL8343372 0.89 TSHR (0.55) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL10779217 0.86 TSHR (0.86) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29236959 0.86 TSHR (0.86) TSHRRAB9AMAPTL3MBTL1CASP3
SCHEMBL27555709 0.86 TSHR (0.70) TSHRRAB9AMAPTL3MBTL1CASP3
Terephthalic Acid SCHEMBL18394717 0.86 TSHR (0.70) TSHRRAB9AMAPTL3MBTL1CASP3
Terephthalic Acid SCHEMBL8811649 0.86 TSHR (0.70) TSHRRAB9AMAPTL3MBTL1CASP3
SCHEMBL63466 0.86 TSHR (0.70) TSHRRAB9AMAPTL3MBTL1CASP3
Terephthalic Acid SCHEMBL4349174 0.86 TSHR (0.70) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL176744 0.84 TSHR (0.83) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL28576116 0.84 TSHR (0.83) TSHRRAB9AMAPTL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36477-E 4-(3,5-BIS(TRIMETHYLSILYLPHENYL)CARBOXAMIDO)BENZOIC ACID; DIFFERENTIATION-INDUCING REAGENT OR CELLS; ANTICARCINOGENTIC, -TUMOR,-INFLAMMATORY AND -PROLIFERATIVE AGENTS; PSORIASIS; LEUKEMIA; IMMUNOLOGY TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0337176-B1 Novel benzoic acid derivatives and process for preparing the same SHUDO KOICHI (JP) 1994-12-21 EP disclosed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5081271-A Differentiation-inducing agent for neoplastic cells; therapeutic agent for psoriasis or immune and inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
EP-0337176-A2 Novel benzoic acid derivatives and process for preparing the same Shudo, Koichi, Prof. Dr. (JP) 1989-10-18 EP disclosed