SCHEMBL31508665

SCHEMBL31508665

CCCC(C)CCCC(C)CCCC(C)CCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SLC1A1 P43005 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
BLM P54132 1/20 0.37
LMNA P02545 3/20 0.36
CA1 P00915 1/20 0.36
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30082807 0.98 TSHR (0.45) TSHRCA12CA14MAPTACE2
SCHEMBL13880228 0.94 TSHR (0.50) TSHRCA12CA14MAPTSLC1A1
SCHEMBL27487672 0.90 TSHR (0.54) TSHRCA12CA14MAPTACE2
SCHEMBL28292624 0.90 TSHR (0.48) TSHRCA12CA14MAPTACE2
SCHEMBL29059197 0.89 ACE2 (0.52) TSHRCA12CA14MAPTACE2
SCHEMBL31509153 0.89 TSHR (0.46) TSHRCA12CA14MAPTACE2
SCHEMBL27724061 0.89 TSHR (0.52) TSHRCA12CA14MAPTACE2
SCHEMBL28865564 0.87 ACE2 (0.55) TSHRCA12CA14MAPTACE2
SCHEMBL27696830 0.87 ACE2 (0.55) TSHRCA12CA14MAPTACE2
SCHEMBL27696832 0.87 ACE2 (0.55) TSHRCA12CA14MAPTACE2

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
WO-2025096734-A1 MICROCAPSULES FMC CORPORATION (US) 2025-05-08 WO disclosed