SCHEMBL11053872

SCHEMBL11053872

C=CN(CCNC(CC)[Si](OC)(OC)OC)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SIGMAR1 Q99720 3/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL28111995 0.74 GAA (0.35) GAAALDH1A1NPSR1SIGMAR1
SCHEMBL1116631 0.73 SIGMAR1 (0.44) NPSR1SIGMAR1
SCHEMBL7783746 0.73 MTOR (0.34) ALDH1A1TSHR
SCHEMBL28247258 0.73 SIGMAR1 (0.42) GAAALDH1A1TSHRSIGMAR1
SCHEMBL27839912 0.71 GAA (0.30) GAAALDH1A1NPSR1
SCHEMBL28484174 0.71 CYP2D6 (0.33) GAAALDH1A1TSHRSIGMAR1
SCHEMBL1062950 0.71 CARM1 (0.38) GAAALDH1A1TSHR
SCHEMBL145173 0.71 ALDH1A1 (0.40) GAAALDH1A1NPSR1SIGMAR1
Hydrochloric Acid SCHEMBL5894235 0.70 ALDH1A1 (0.40) GAAALDH1A1NPSR1SIGMAR1
Hydrochloric Acid SCHEMBL525155 0.70 ALDH1A1 (0.40) GAAALDH1A1NPSR1SIGMAR1

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-4456659-A ULTRAVIOLET CURABLE FILMS OF AN ACYLIC-MODIFIED POLYBUTADIENE, A HYDROXY ACRYLATE AND AN ACRYLIC DILUENT HITACHI, LTD. (JP) 1984-06-26 US disclosed