SCHEMBL28898521

SCHEMBL28898521

C=CC(=O)N(C)c1ccc(B(O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CA2 P00918 3/20 0.38
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
ENPP2 Q13822 4/20 0.36
CDK12 Q9NYV4 4/20 0.35
CCNK O75909 3/20 0.35
CA1 P00915 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL10362074 0.81 ALDH1A1 (0.48) TGM2KDM4ETSHR
SCHEMBL23531983 0.80 BTK (0.41) KDM4EENPP2
SCHEMBL587718 0.79 ALDH5A1 (0.45) TGM2KDM4ECDK12CCNK
SCHEMBL7267715 0.79 ALDH1A1 (0.46) TGM2TSHR
SCHEMBL12266129 0.79 SMN1; SMN2 (0.50) CA2LPLLIPGENPP2
SCHEMBL14408213 0.79 KDM4E (0.41) TGM2KDM4ECA2CA1TSHR
SCHEMBL10194673 0.78 BCL2A1 (0.49) TGM2KDM4E
SCHEMBL10194675 0.78 BCL2A1 (0.49) TGM2CDK12CCNKTSHR
SCHEMBL319608 0.77 KMT2A (0.46) KDM4ECA2CA1
SCHEMBL18229042 0.76 NPC1 (0.47) TGM2CA2CDK12CCNKCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114080226-A Ophthalmic composition 爱尔康公司 2022-02-22 CN claimed
CN-111566517-A Contact lenses having lubricious coating thereon 爱尔康公司 2020-08-21 CN claimed
CN-111566517-A Contact lenses having lubricious coating thereon 爱尔康公司 2020-08-21 CN disclosed