SCHEMBL8345539

SCHEMBL8345539

CC(=O)c1ccc([Si](C)(C)C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.52
PRKDC P78527 1/20 0.46
MAOB P27338 8/20 0.42
HTT P42858 2/20 0.41
CA9 Q16790 1/20 0.41
MAOA P21397 4/20 0.41
PPARD Q03181 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 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
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 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
SCHEMBL8345919 0.84 HTT (0.41) ALDH1A1HPGDMAPK1CYP3A4MAOB
SCHEMBL28515999 0.84 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1CYP3A4CA9
SCHEMBL9726813 0.80 SMN1; SMN2 (0.42) ALDH1A1HPGDMAPK1CYP3A4HTT
SCHEMBL9726808 0.78 ACHE (0.39) ALDH1A1HPGDMAPK1CYP3A4PRKDC
SCHEMBL9726921 0.76 SMN1; SMN2 (0.42) ALDH1A1MAOBHTTCA9ACHE
SCHEMBL9726917 0.74 ACHE (0.39) ALDH1A1HPGDMAPK1CYP3A4MAOB
SCHEMBL881334 0.74 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1CYP3A4PRKDC
SCHEMBL4708586 0.74 CES2 (0.67) ALDH1A1HPGDMAPK1CYP3A4MAOB
SCHEMBL26357 0.74 CES2 (0.67) ALDH1A1HPGDMAPK1CYP3A4MAOB
SCHEMBL29443437 0.74 CES2 (0.67) ALDH1A1HPGDMAPK1CYP3A4MAOB

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