SCHEMBL21160864

SCHEMBL21160864

C=C/C=C(\C=C/C)Nc1cccc(C)c1/C=C\C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 2/20 0.34
▸ MMP1 P03956 3/20 0.32
▸ MMP2 P08253 3/20 0.32
▸ MMP9 P14780 3/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL19849061 0.82 CD44 (0.33) MMP1MMP2MMP9EGFRMAPT
SCHEMBL21726042 0.77 — —
SCHEMBL25957148 0.76 MMP1 (0.33) MMP1MMP2MMP9EGFR
SCHEMBL25572076 0.75 GAA (0.41) MMP1MMP2MMP9MAPT
SCHEMBL22766278 0.70 TGM2 (0.36) —
SCHEMBL16479261 0.70 CXCR5 (0.37) CXCR5MMP1MMP2MMP9EGFR
SCHEMBL22015727 0.69 MMP1 (0.33) CXCR5MMP1MMP2MMP9EGFR
SCHEMBL12344947 0.69 TGM2 (0.43) MMP1MMP2MMP9EGFRMAPT
SCHEMBL20912080 0.68 TGM2 (0.47) MMP1MMP2MMP9EGFRMAPT
SCHEMBL24946415 0.68 ALDH1A1 (0.44) MAPT

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
US-20190212649-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING TRIARYLDIAMINE-CONTAINING NOVOLAC RESIN NISSAN CHEMICAL CORPORATION (JP) 2019-07-11 — — US disclosed
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