SCHEMBL30763517

SCHEMBL30763517

C=C(C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.50
MMP3 P08254 6/20 0.50
ELANE P08246 1/20 0.50
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MGLL Q99685 2/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL447166 0.95 ELANE (0.54) MMP2MMP3ELANEKMT2AATM
SCHEMBL10015744 0.92 ELANE (0.50) MMP2MMP3ELANEKMT2AATM
SCHEMBL712644 0.92 ELANE (0.50) MMP2MMP3ELANEKMT2AATM
SCHEMBL5069956 0.86 ELANE (0.47) MMP2MMP3ELANEKMT2AATM
SCHEMBL5069958 0.86 ELANE (0.47) MMP2MMP3ELANEKMT2AATM
SCHEMBL17433304 0.86 ELANE (0.62) ELANEKMT2AATMMAPTALDH1A1
SCHEMBL803168 0.86 ELANE (0.62) ELANEKMT2AATMMAPTALDH1A1
SCHEMBL12872192 0.86 ELANE (0.62) ELANEKMT2AATMMAPTALDH1A1
SCHEMBL503694 0.86 XDH (0.47) MMP2MMP3ELANEKMT2AATM
SCHEMBL29322166 0.83 MMP2 (0.48) MMP2MMP3MAPTALDH1A1MMP1

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-117327362-A Curable resin composition 东京应化工业株式会社 2024-01-02 CN disclosed