SCHEMBL28201839

SCHEMBL28201839

C=C(C)C(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
NCOA1 Q15788 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
CCR3 P51677 1/20 0.52
SOAT1 P35610 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL14350793 0.83 ALDH1A1 (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9068085 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL346221 0.79 TGFBR1 (0.57)
SCHEMBL2258793 0.79 TGFBR1 (0.57)
SCHEMBL8577983 0.79 TGFBR1 (0.41) ALDH1A1MTNR1AMTNR1B
SCHEMBL11063512 0.79 KMT2A (0.41) ALDH1A1HTTSMN1; SMN2
SCHEMBL14338268 0.78 ALDH1A1 (0.62) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9561831 0.77 MMP9 (0.74)
SCHEMBL8374049 0.77 FCER2 (0.50)
SCHEMBL13647281 0.77 ALDH1A1 (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3

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-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN disclosed