SCHEMBL28878770

SCHEMBL28878770

O=P(O)(O)OC1CCN(Cc2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA9 Q16790 2/20 0.41

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
Trifluoroacetic Acid SCHEMBL29964795 0.92 TACR1 (0.39) GBA1CA1CA2CA4CA9
SCHEMBL27501935 0.75 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL6853109 0.74 CCR3 (0.53) —
SCHEMBL28021431 0.73 GBA1 (0.50) GBA1
SCHEMBL6194001 0.73 CA1 (0.48) CA1CA2CA4CA9
SCHEMBL8925928 0.73 TACR1 (0.50) CA1CA2CA4CA9
SCHEMBL3652328 0.73 TACR1 (0.50) CA1CA2CA4CA9
SCHEMBL8925926 0.73 TACR1 (0.50) CA1CA2CA4CA9
SCHEMBL3556494 0.72 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL10518314 0.70 OPRD1 (0.43) GBA1

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
CN-115151260-A Fulvestrant prodrugs 卡希夫生物科学有限公司 2022-10-04 — — CN disclosed
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