SCHEMBL7521100

SCHEMBL7521100

CCCC(c1ccccc1C(C)(C)C(C)O)(c1ccccc1C(C)(C)C(C)O)c1ccccc1C(C)(C)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.34
GRIN2A Q12879 6/20 0.34
GRIN2D O15399 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN2B Q13224 4/20 0.34
RIPK1 Q13546 2/20 0.33
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KIF11 P52732 1/20 0.31
LMNA P02545 1/20 0.31
OPRK1 P41145 2/20 0.30
KCNH2 Q12809 2/20 0.30
OPRM1 P35372 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
CACNA1F O60840 1/20 0.30
ABCB1 P08183 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
SCHEMBL3912943 0.77 HSP90AA1 (0.38) ALDH1A1TSHRTDP1OPRK1KCNH2
SCHEMBL7521112 0.74 ESR1 (0.38) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL5831906 0.71 TSHR (0.52) TRPA1ALDH1A1TSHRTDP1LMNA
SCHEMBL5682311 0.69 KCNN4 (0.42) TRPA1ALDH1A1TSHRTDP1KIF11
SCHEMBL27282950 0.68 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8612795 0.68 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL30639006 0.66 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KIF11OPRK1
SCHEMBL18076575 0.66 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KIF11OPRK1
SCHEMBL983859 0.66 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KIF11OPRK1
SCHEMBL2429063 0.65 ALDH1A1 (0.46) GRIN1GRIN2ATRPA1ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6475522-B1 Synthetic polymer compositions containing antibiotics as antidegradants HAMMOND GROUP, INC. 2002-11-05 US disclosed
US-20020086058-A1 Synthetic polymer compositions containing antibiotics as antidegradants HAMMOND GROUP, INC. (US) 2002-07-04 US disclosed
EP-1188787-A1 Synthetic polymer compositions containing antibiotics as antidegradents Hammond Group, Inc. (US) 2002-03-20 EP disclosed