SCHEMBL20053885

SCHEMBL20053885

COC(=O)C1=CC[C@@H](COc2ccc(C#N)cc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.40
MMP3 P08254 5/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
UBE2N P61088 1/20 0.37
RAB9A P51151 1/20 0.36
MGLL Q99685 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
KCNA5 P22460 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20053886 1.00 MMP2 (0.40) MMP2MMP3MAPTALDH1A1MMP1
SCHEMBL11886490 0.74 TDP1 (0.34) MAPTPOLBKDM4EGAAKMT2A
SCHEMBL13720079 0.69 KCNH2 (0.35) POLBKDM4EGAA
SCHEMBL805476 0.65 GABRR1 (0.37) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL17683049 0.65 KCNH2 (0.34) POLBKDM4EGAA
SCHEMBL2163526 0.65 L3MBTL1 (0.57) MMP2MMP3MAPTALDH1A1MMP1
SCHEMBL19962767 0.64 RAB9A (0.70) MAPTALDH1A1RAB9APOLBHTT
SCHEMBL8229744 0.64 PARP15 (0.65) MAPTALDH1A1RAB9APOLBKDM4E
SCHEMBL23280320 0.64 ALDH1A1 (0.33) ALDH1A1POLBKDM4EGAAKMT2A
SCHEMBL11886388 0.64 KCNH2 (0.36) POLBKDM4EGAA

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
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed