Sugi Predict

Sugi Predict / Compounds / SCHEMBL7174229

SCHEMBL7174229

SCHEMBL7174229

O=C(CCc1ccc(OCc2ccccc2)cc1)N[C@H]1c2ccccc2CC1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.52
▸ FFAR4 Q5NUL3 2/20 0.52
▸ MMP9 P14780 3/20 0.48
▸ MMP1 P03956 2/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ MMP8 P22894 2/20 0.48
▸ LTA4H P09960 4/20 0.47
▸ CTSD P07339 1/20 0.47
▸ EPHX2 P34913 4/20 0.46

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
SCHEMBL7174233 1.00 FFAR1 (0.52) FFAR1FFAR4MMP9MMP1MMP2
SCHEMBL6418633 0.89 MMP9 (0.51) MMP9MMP1MMP2MMP8CTSD
SCHEMBL6418630 0.89 MMP9 (0.51) MMP9MMP1MMP2MMP8CTSD
SCHEMBL6418631 0.89 MMP9 (0.51) MMP9MMP1MMP2MMP8CTSD
SCHEMBL21214724 0.85 MMP9 (0.49) MMP9MMP1MMP2MMP8LTA4H
SCHEMBL7301330 0.85 MMP9 (0.60) MMP9MMP1MMP2MMP8CTSD
SCHEMBL7301335 0.85 MMP9 (0.60) MMP9MMP1MMP2MMP8CTSD
SCHEMBL8303830 0.84 NAMPT (0.54) —
SCHEMBL21214662 0.82 MMP9 (0.46) MMP9MMP1MMP2MMP8CTSD
SCHEMBL7179042 0.79 MMP9 (0.65) MMP9MMP1MMP2MMP8

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-6576664-B1 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-10 — — US disclosed