SCHEMBL17852291

SCHEMBL17852291

CC(C)CC(C(=O)OCOC(=O)C(CC(C)C)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.35
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34
▸ TSHR P16473 2/20 0.31
▸ ADAM17 P78536 2/20 0.31
▸ MMP1 P03956 4/20 0.31
▸ MMP2 P08253 4/20 0.31
▸ MMP3 P08254 3/20 0.31
▸ MMP9 P14780 3/20 0.31
▸ MMP8 P22894 3/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ CACNA2D1 P54289 2/20 0.30
▸ CACNB3 P54284 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ CACNA2D2 Q9NY47 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
SCHEMBL18560732 0.86 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL20221807 0.84 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1RNPEPTSHR
SCHEMBL12015497 0.84 TSHR (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL15443271 0.84 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1RNPEPTSHR
SCHEMBL9911582 0.81 SMN1; SMN2 (0.44) SLC1A3SLC1A2SLC1A1RNPEPADAM17
SCHEMBL16799549 0.81 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL5514853 0.81 SMN1; SMN2 (0.44) SLC1A3SLC1A2SLC1A1RNPEPADAM17
SCHEMBL12868880 0.81 SMN1; SMN2 (0.44) SLC1A3SLC1A2SLC1A1RNPEPADAM17
SCHEMBL18560734 0.80 TSHR (0.34) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL22238311 0.80 MAPT (0.39) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5

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-20160177162-A1 COMPOSITIONS PROVIDING CONSOLIDATION AND WATER-CONTROL HALLIBURTON ENERGY SERVICES, INC. 2016-06-23 — — US disclosed
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