SCHEMBL8049741

SCHEMBL8049741

CC1(c2ccccc2OCc2ccccc2)CCN(C(Cc2ccc(O)cc2)C(=O)NO)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.54
MMP9 P14780 11/20 0.54
ADAM17 P78536 9/20 0.54
MMP1 P03956 8/20 0.46
ADAM33 Q9BZ11 2/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP15 P51511 1/20 0.40
MMP16 P51512 1/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6627441 0.86 MMP2 (0.75) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6626012 0.74 ADAM17 (0.62) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6628657 0.73 MMP2 (0.78) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6628166 0.71 MMP2 (0.74) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6628455 0.71 MMP9 (1.00) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6628135 0.69 MMP2 (0.70) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6627939 0.69 MMP9 (0.80) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6626999 0.69 MMP2 (0.84) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6627183 0.68 ADAM17 (0.52) MMP2MMP9ADAM17MMP1ADAM33
SCHEMBL6628080 0.67 ADAM17 (0.74) MMP2MMP9ADAM17MMP1ADAM33

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-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed