SCHEMBL21979729

SCHEMBL21979729

C[SiH](CC=Cc1ccccc1)C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.39
MGLL Q99685 1/20 0.36
HTR2A P28223 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CTSK P43235 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL365232 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL5959245 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AMGLL
SCHEMBL16684620 0.75 SLC6A3 (0.34) ALDH1A1MGLL
SCHEMBL28774732 0.74 SLC6A3 (0.33) ALDH1A1MGLL
SCHEMBL8041595 0.72 RAB9A (0.36) MGLL
SCHEMBL4452279 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL252329 0.71
SCHEMBL8056890 0.70 HPGD (0.41) KMT2A
SCHEMBL2240777 0.70 SLC18A3 (0.39) MEN1KMT2AOPRM1MGLL
SCHEMBL28960519 0.70 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870732-B2 Defoamer compositions for detergents WACKER CHEMIE AG (DE) 2020-12-22 US disclosed
US-20200165393-A1 DEFOAMER COMPOSITIONS FOR DETERGENTS WACKER CHEMIE AG (DE) 2020-05-28 US disclosed