SCHEMBL7629486

SCHEMBL7629486

CCC(C)C(=O)OCCOCCOCCOCCOC(=O)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.32
SERPINE1 P05121 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL26922145 1.00 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL7636910 1.00 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL19798141 0.94 TSHR (0.54) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL9893691 0.94 HSD17B10 (0.40) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL10033506 0.94 TSHR (0.54) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL12259379 0.94 TSHR (0.54) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL13667079 0.93 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10THRBACHE
SCHEMBL17973328 0.92 MEN1 (0.44) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL20364765 0.92 TSHR (0.38) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL12200851 0.92 MEN1 (0.44) ALDH1A1TSHRKDM4ETP53HIF1A

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
US-11697770-B2 Liquid crystal composition, method for producing high-molecular weight liquid crystal compound, light absorption anisotropic film, laminate, and image display device FUJIFILM CORPORATION (JP) 2023-07-11 US disclosed
US-6423856-B1 ESTERIFICATION ALKYLENE GLYCOL WITH ALIPHATIC ESTER CELANESE CHEMICALS EUROPE GMBH (DE) 2002-07-23 US disclosed