SCHEMBL18905488

SCHEMBL18905488

CC(C)CC(C)(O)c1ccc(OCCC[SiH3])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL18911001 0.88 ALDH1A1 (0.51) KDM4EALDH1A1TDP1HRH3MEN1
SCHEMBL18905485 0.83 ALDH1A1 (0.46) ALDH1A1HRH3SMN1; SMN2CYP3A4PSMB1
SCHEMBL18905502 0.81 ALDH1A1 (0.54) ALDH1A1HRH3SMN1; SMN2CYP3A4PSMB1
SCHEMBL18905500 0.80 HRH3 (0.56) KDM4EALDH1A1HRH3SMN1; SMN2CYP3A4
SCHEMBL18905419 0.78 KCNH2 (0.36) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14804859 0.71 TSHR (0.44) KDM4EALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL18905423 0.71 CHRM3 (0.34) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL873678 0.70 CYP2C19 (0.46) ALDH1A1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL18905369 0.70 MEN1 (0.41) TDP1SMN1; SMN2PSMB1PSMB5MEN1
SCHEMBL18910998 0.70 ALDH1A1 (0.63) ALDH1A1HRH3SMN1; SMN2CYP3A4MEN1

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-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed