SCHEMBL26601972

SCHEMBL26601972

CCCCCCCOc1ccc2c(c1)C[C@@]1(Cc3cc(C)ccc3C1=O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 4/20 0.42
PDK2 Q15119 1/20 0.40
PLK1 P53350 3/20 0.39
LMNA P02545 1/20 0.39
ALDH2 P05091 1/20 0.39

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
SCHEMBL17899374 0.81 MAPT (0.50) THRATHRBPDE3BPDE3AMEN1
SCHEMBL12083159 0.77 THRA (0.47) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL17796880 0.74 MAPT (0.56) THRATHRBPDE3BPDE3AMEN1
SCHEMBL30426252 0.74 MAPT (0.56) THRATHRBPDE3BPDE3AMEN1
SCHEMBL11357497 0.72 THRA (0.54) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL538924 0.72 MAPT (0.74) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL918880 0.72 MAPT (0.69) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL8143543 0.72 THRA (0.54) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL31003494 0.72 MAPT (0.74) THRATHRBMEN1NPC1ALDH1A1
SCHEMBL7619627 0.72 MAPT (0.69) THRATHRBMEN1NPC1ALDH1A1

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-11796856-B1 Organic solid crystals having helical structures formed using cholesteric liquid crystals META PLATFORMS TECHNOLOGIES, LLC (US) 2023-10-24 US disclosed