SCHEMBL33219

SCHEMBL33219

CCC(=O)CCC(C)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
POLB P06746 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ADRB2 P07550 1/20 0.39

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
SCHEMBL1784136 0.88 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL443825 0.83 ALDH1A1 (0.54) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL8946971 0.82 LMNA (0.51) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL28279379 0.82 LMNA (0.46) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL2578004 0.81 ALDH1A1 (0.62) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL16366695 0.81 ALDH1A1 (0.62) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14616015 0.80 LMNA (0.52) LMNACYP1A2CYP2D6POLBSCN1A
Phenol SCHEMBL28543645 0.80 CA12 (0.47) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL2980323 0.80 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL2982475 0.80 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A

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-2388017-A2 Catalytic radiofluorination The General Hospital Corporation (US) 2011-11-23 EP disclosed