SCHEMBL8345919

SCHEMBL8345919

CC(=O)c1cc([Si](C)(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CA9 Q16790 3/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
MCL1 Q07820 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK2A1 P68400 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8345539 0.84 ALDH1A1 (0.52) HTTCA9MAOAMAOBACHE
SCHEMBL9726921 0.84 SMN1; SMN2 (0.42) HTTCA9MAOBACHEALDH1A1
SCHEMBL9726917 0.78 ACHE (0.39) CA9MAOAMAOBACHEMAPT
SCHEMBL9726813 0.76 SMN1; SMN2 (0.42) HTTCA9ACHEMAPTALDH1A1
SCHEMBL9726808 0.74 ACHE (0.39) CA9MAOAMAOBACHEMAPT
SCHEMBL12771213 0.74 MAPT (0.36) CA9MAOAMAOBACHEMAPT
SCHEMBL108053 0.74 CA12 (0.64) HTTCA9MAOAMAOBMAPT
SCHEMBL29400547 0.74 CA12 (0.64) HTTCA9MAOAMAOBMAPT
SCHEMBL18604566 0.73 TRPA1 (0.46) ACHEALDH1A1HPGDMAPK1CYP3A4
SCHEMBL7295677 0.72 PKM (0.57) HTTMAOAMAOBMAPTPOLB

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