SCHEMBL13320847

SCHEMBL13320847

CCC(C)(C)c1ccc(O)c(N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.46
▸ ESR2 Q92731 5/20 0.43
▸ AR P10275 3/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APP P05067 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL6644245 0.81 ALDH1A1 (0.59) ESR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14597245 0.81 ESR1 (0.57) ESR1ESR2ARMAPK1ALDH1A1
SCHEMBL56223 0.79 ALDH1A1 (0.61) ESR1ESR2ARMAPK1SMN1; SMN2
SCHEMBL20288221 0.79 MAPK1 (0.40) ESR1MAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2614950 0.77 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL29492899 0.77 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL29481306 0.76 MAPK1 (0.48) ESR1ESR2ARMAPK1SMN1; SMN2
SCHEMBL80891 0.76 MAPK1 (0.48) ESR1ESR2ARMAPK1SMN1; SMN2
SCHEMBL340143 0.75 NPC1 (0.55) ESR1ESR2ARMAPK1SMN1; SMN2
SCHEMBL25454480 0.74 ESR1 (0.46) ESR1ESR2ARMAPK1SMN1; SMN2

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-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
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