SCHEMBL23745264

SCHEMBL23745264

O=C1NC(=O)C(C=C2CC2)(CCC(=O)N2Cc3ccc(OC(F)(F)F)cc3C2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MMP13 P45452 4/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ MMP2 P08253 3/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ ADAMTS5 Q9UNA0 8/20 0.34
▸ ADAMTS4 O75173 2/20 0.34
▸ ADAM17 P78536 4/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL23727306 0.80 ADAMTS5 (0.53) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL29835150 0.80 ADAMTS5 (0.53) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL23727305 0.80 ADAMTS5 (0.53) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL23745322 0.74 DPP7 (0.40) MMP13MMP12MMP14MMP2ADAMTS5
SCHEMBL30013223 0.72 ABHD6 (0.38) BACE1ESR1ESR2MGLLABHD6
SCHEMBL23745358 0.67 ADAMTS4 (0.67) MMP13MMP12MMP2ADAMTS5ADAMTS4
SCHEMBL29250257 0.66 ADAMTS5 (0.55) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL29835134 0.66 ADAMTS5 (0.55) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL23745214 0.66 ADAMTS5 (0.55) MMP13MMP2ADAMTS5ADAMTS4ADAM17
SCHEMBL23745243 0.65 ADAMTS5 (0.54) MMP13MMP14MMP2ADAMTS5ADAM17

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
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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