SCHEMBL8644392

SCHEMBL8644392

COC(=O)CCC(=O)O[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
VDR P11473 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 2/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
APAF1 O14727 1/20 0.30
PPP1CA P62136 1/20 0.30

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
SCHEMBL27480549 0.89 LMNA (0.34) GPBAR1MAPTLMNA
SCHEMBL28227226 0.89 LMNA (0.34) GPBAR1MAPTLMNA
SCHEMBL9617897 0.85 MGAM (0.31)
SCHEMBL27801263 0.85 TRPA1 (0.31)
SCHEMBL28148440 0.85 GPBAR1 (0.32) GPBAR1
SCHEMBL4505364 0.83 TRPA1 (0.30)
SCHEMBL27642076 0.83 TRPA1 (0.30)
SCHEMBL28289084 0.83 EP300 (0.33) HIF1A
SCHEMBL27959985 0.83 TRPA1 (0.30)
SCHEMBL27668512 0.83 TRPA1 (0.30)

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
US-5752529-A Tobacco products containing coolant compositions V. MANE FILS S.A. (FR) 1998-05-19 US disclosed