SCHEMBL17454872

SCHEMBL17454872

CCC(C)(C)c1ccc(OC(C)=O)c(C2C(=O)Oc3ccc(C(C)(C)CC)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL12345424 0.91 ALDH1A1 (0.32) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL466198 0.90 GAA (0.34) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL13726769 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL30172495 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL13412724 0.79 GAA (0.56) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL21728921 0.78 MAPK1 (0.37) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL22068545 0.76 MAPT (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL18608338 0.75
SCHEMBL23095180 0.75 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL30992109 0.75 MAPT (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1

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-1689799-B1 STABILIZATION OF POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES BASF SE (DE) 2016-01-20 EP disclosed