SCHEMBL31090403

SCHEMBL31090403

CCC1(CCOc2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
KCNA3 P22001 1/20 0.45
LTA4H P09960 3/20 0.44
HTR1B P28222 2/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL4451944 0.82 LTA4H (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30601967 0.82 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL1564420 0.78 CHRNB2 (0.46) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30601980 0.75 MPO (0.36) LTA4HALDH1A1
SCHEMBL17309118 0.74 KCNA3 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7269669 0.74 KCNA3 (0.44) KCNA3LTA4HHTR1BHTR1AHTR1D
SCHEMBL11399029 0.72 LTA4H (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5450367 0.71 KCNA3 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11292129 0.71 LMNA (0.64) ALDH1A1
SCHEMBL10360969 0.70 KCNA3 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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-118667384-A Ink-jet printing ink applied to glass and preparation method thereof, and glass coating 深圳市墨库新材料集团股份有限公司 2024-09-20 CN disclosed