SCHEMBL31035289

SCHEMBL31035289

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.42
LPL P06858 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
P4HB P07237 1/20 0.33
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HIF1A Q16665 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL31035194 0.86 ERN1 (0.49) ERN1LPLLIPGP4HBF2
SCHEMBL29377126 0.83 ERN1 (0.49) ERN1LPLLIPG
SCHEMBL22465928 0.83 ERN1 (0.49) ERN1LPLLIPG
SCHEMBL177571 0.83 LPL (0.41) LPLLIPGF2F11PRSS1
SCHEMBL31088716 0.81 LPL (0.39) LPLLIPGP4HBF2F11
SCHEMBL7167240 0.81 ERN1 (0.53) ERN1
SCHEMBL30836767 0.78 LPL (0.42) LPLLIPGP4HBCA1CA2
SCHEMBL15542344 0.78 LPL (0.42) LPLLIPGP4HBCA1CA2
SCHEMBL17418959 0.78 LPL (0.42) LPLLIPGP4HBF2F11
SCHEMBL20600606 0.77 LPL (0.37) LPLLIPGF2F11PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed