SCHEMBL11224430

SCHEMBL11224430

CC(CCOc1ccccc1)O[SiH](OC(C)CCOc1ccccc1)OC(C)CCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
MAPK1 P28482 1/20 0.45
HTR1B P28222 2/20 0.44
LMNA P02545 1/20 0.44
HTR1D P28221 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
LTA4H P09960 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL11224457 0.81 LMNA (0.57) KCNA3CHRNB2CHRNA7MAPK1LMNA
SCHEMBL1454985 0.81 KCNA3 (0.52) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL22654070 0.79 KCNA3 (0.50) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL9503356 0.78 KCNA3 (0.58) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL195569 0.78 TDP1 (0.64) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL11220223 0.78 KCNA3 (0.48) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL28352207 0.76 KCNA3 (0.47) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
Ammonia Solution, Strong SCHEMBL8909905 0.76 TDP1 (0.62) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL24741070 0.76 ALDH1A1 (0.55) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL21985397 0.75 SIGMAR1 (0.51) KCNA3SIGMAR1CHRNB2CHRNB4CHRNA3

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-4332957-A TREE RETARDANT ADDITIVES FOR DIELECTRICS NATIONAL DISTILLERS & CHEMICAL CORP. (US) 1982-06-01 US disclosed