SCHEMBL31346359

SCHEMBL31346359

COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
PTPRB P23467 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
APLNR P35414 1/20 0.34
CTSK P43235 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
MAPT P10636 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
SCHEMBL31346484 0.87 MEN1 (0.38) DGAT1CA12CA14CA2TDP1
SCHEMBL15387867 0.85 MAOA (0.37) DGAT1CA12CA14CA2TDP1
SCHEMBL4549806 0.82 DGAT1 (0.47) DGAT1CA12CA14CA2TDP1
SCHEMBL3180767 0.82 DGAT1 (0.47) DGAT1CA12CA14CA2TDP1
SCHEMBL3936414 0.82 DGAT1 (0.47) DGAT1CA12CA14CA2TDP1
SCHEMBL28682014 0.81 DGAT1 (0.45) DGAT1CA12CA14CA2TDP1
SCHEMBL28682013 0.81 DGAT1 (0.45) DGAT1CA12CA14CA2TDP1
SCHEMBL13422935 0.80 DGAT1 (0.41) DGAT1CA12CA14CA2TDP1
SCHEMBL90257 0.80 CA12 (0.40) DGAT1CA12CA14CA2TDP1
SCHEMBL7923566 0.80 CA2 (0.42) DGAT1CA12CA14CA2TDP1

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-4747258-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-27 EP disclosed
WO-2025024329-A2 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-01-30 WO disclosed