SCHEMBL31035705

SCHEMBL31035705

COc1cccc(C(OC)OC)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL1918798 0.81 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL253099 0.78 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL9686221 0.78 SMN1; SMN2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL31035414 0.78 ESR1 (0.39) CA1CA2CA7CA9ACHE
SCHEMBL7277426 0.72 GABRA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7284643 0.72 ERN1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL4136425 0.72 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL16590519 0.72 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL25874735 0.72 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL12826282 0.72 CA1 (0.50) CA1CA2CA7CA9CA12

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