SCHEMBL26558796

SCHEMBL26558796

COC(=O)CCOCC(COCCC=O)(COCCC=O)COCCC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKT1 P31749 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
SCHEMBL22811004 1.00 TSHR (0.40) TSHRLMNAALDH1A1THRBKMT2A
SCHEMBL5839487 0.87 TSHR (0.52) TSHRLMNAALDH1A1THRBKMT2A
SCHEMBL22994888 0.82 THRB (0.34) LMNAALDH1A1THRB
SCHEMBL14969719 0.80 TSHR (0.50) TSHRLMNAALDH1A1THRBKMT2A
SCHEMBL20429066 0.80 TSHR (0.44) TSHRLMNAALDH1A1THRBKMT2A
SCHEMBL22994948 0.80 LMNA (0.35) LMNATHRB
SCHEMBL16326363 0.79 HIF1A (0.33) ALDH1A1THRB
SCHEMBL469080 0.78 TSHR (0.31) TSHR
SCHEMBL15697261 0.77 TSHR (0.43) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL15697254 0.77 TSHR (0.43) TSHRLMNAALDH1A1KMT2AMEN1

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
EP-4261269-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2023-10-18 EP disclosed