SCHEMBL8587909

SCHEMBL8587909

CON=C1C=CC([C@@H]2C[C@H](CC(=O)OC)ON2)=CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7372613 1.00 MIF (0.30) MIFHDAC6
Hydrochloric Acid SCHEMBL7377894 0.99 — —
SCHEMBL22907553 0.69 MIF (0.48) MIFHDAC6
SCHEMBL7371554 0.65 ALDH1A1 (0.40) MIFHDAC6
SCHEMBL7790925 0.64 ITGB3 (0.39) MIFHDAC6
SCHEMBL7372378 0.64 ITGB3 (0.39) MIFHDAC6
SCHEMBL7376419 0.64 ALDH1A1 (0.39) MIFHDAC6
SCHEMBL7375293 0.62 SLC6A3 (0.36) MIFHDAC6
SCHEMBL7848117 0.61 USP30 (0.39) —
SCHEMBL7375165 0.61 CYP1A2 (0.38) MIF

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-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
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