SCHEMBL38656190

SCHEMBL38656190

CCC(O)COCCOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.43
RGS12 O14924 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2717725 0.91 CA1 (0.68) CA1CA2CA7CA9TSHR
SCHEMBL4570490 0.91 CA1 (0.68) CA1CA2CA7CA9TSHR
SCHEMBL5516631 0.91 CA1 (0.68) CA1CA2CA7CA9TSHR
SCHEMBL3545404 0.89 CA1 (0.65) CA1CA2CA7CA9TSHR
SCHEMBL3541327 0.87 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL24180413 0.84 CA1 (0.64) CA1CA2CA7CA9TSHR
SCHEMBL21344946 0.84 CA1 (0.64) CA1CA2CA7CA9TSHR
SCHEMBL4443943 0.84 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL4443937 0.84 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL24207966 0.83 CA1 (0.57) CA1CA2CA7CA9TSHR

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
WO-2026104409-A1 MULTIMERIC MANGANESE CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 WO disclosed
EP-4741400-A1 MULTIMERIC MANGANESE CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2026-05-13 EP disclosed