SCHEMBL30732579

SCHEMBL30732579

CC(C)(C)OC(=O)NC(CO)COCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ATM Q13315 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
PPARA Q07869 2/20 0.33
SYK P43405 1/20 0.33
PPARG P37231 1/20 0.33
CTSK P43235 4/20 0.33
CYP2D6 P10635 1/20 0.33
DUT P33316 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CTSS P25774 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
SCHEMBL31695224 1.00 CA1 (0.35) CA1CA2CA7ATMAAK1
SCHEMBL3227264 0.88 CA1 (0.40) CA1CA2CA7ATMAAK1
SCHEMBL1861340 0.88 CA1 (0.40) CA1CA2CA7ATMAAK1
SCHEMBL1861342 0.88 CA1 (0.40) CA1CA2CA7ATMAAK1
SCHEMBL29626311 0.85 CA1 (0.38) CA1CA2CA7ATMCTSK
SCHEMBL15304807 0.85 CA1 (0.38) CA1CA2CA7ATMCTSK
SCHEMBL30732497 0.84 SMN1; SMN2 (0.36) CA1CA2CA7ATMPPARA
SCHEMBL29727311 0.83 CA1 (0.36) CA1CA2CA7ATMCTSK
SCHEMBL30732569 0.82 TDP1 (0.38) CA1CA2CA7ATMAAK1
SCHEMBL18435389 0.81 ATM (0.56) ATMPPARAPPARGCTSKKMT2A

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-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed