SCHEMBL9726808

SCHEMBL9726808

[CH2]c1cc([Si](C)(C)C)ccc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
PRKDC P78527 1/20 0.32
KDM4E B2RXH2 5/20 0.32
MAOB P27338 3/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 1/20 0.32
CYP1A2 P05177 1/20 0.32
NT5E P21589 1/20 0.32
HSD17B1 P14061 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL9726917 0.85 ACHE (0.39) ACHESMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL9726813 0.78 SMN1; SMN2 (0.42) ACHESMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL8345539 0.78 ALDH1A1 (0.52) ACHESMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL9726921 0.74 SMN1; SMN2 (0.42) ACHESMN1; SMN2ALDH1A1KDM4EMAOB
SCHEMBL8345919 0.74 HTT (0.41) ACHESMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL28126467 0.74 MAPT (0.44) SMN1; SMN2HPGDALDH1A1HSD17B1LMNA
SCHEMBL9730784 0.67 RXRB (0.47) ACHEHPGDALDH1A1KDM4ECYP1A2
SCHEMBL28515999 0.67 ALDH1A1 (0.55) SMN1; SMN2HPGDALDH1A1MAPK1CYP3A4
SCHEMBL1821844 0.66 PBRM1 (0.45) SMN1; SMN2HPGDALDH1A1CYP3A4KDM4E
SCHEMBL11910715 0.66 HPGD (0.50) ACHESMN1; SMN2HPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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