SCHEMBL28243274

SCHEMBL28243274

CCN(C(CCS)C(=O)O)[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.33
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1479381 0.80 CA2 (0.30) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5961754 0.75 FOLH1 (0.36) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL313183 0.75 FOLH1 (0.36) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1583314 0.72 HDAC7 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7280578 0.71 FOLH1 (0.40) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1479233 0.71
SCHEMBL6901442 0.68 FOLH1 (0.38) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6901441 0.68 FOLH1 (0.38) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8976269 0.67 ANPEP (0.32)
SCHEMBL27390678 0.67 FOLH1 (0.36) FOLH1CHRM1CHRM3

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
CN-105683275-B Moisture curable compositions with amino acids 莫门蒂夫性能材料股份有限公司 2018-10-02 CN disclosed