SCHEMBL13620115

SCHEMBL13620115

COc1ccc(C(c2ccc(OC(=O)Oc3ccc4c(c3)C(=O)c3cc(OC(C)=O)ccc3-4)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.37
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36

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
SCHEMBL13620116 0.83 LMNA (0.47) BACE1CYP1A1CYP1B1MAPTALDH1A1
SCHEMBL6939142 0.78 LMNA (0.53) BACE1CYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL22336250 0.76 MAPT (0.55) BACE1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL12678981 0.73 LMNA (0.43) MAPTALDH1A1HSD11B1NPC1POLB
SCHEMBL11213111 0.73 MAPT (0.55) BACE1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL12603929 0.72 LMNA (0.47) BACE1MAPTALDH1A1TUBB4ATUBB
SCHEMBL16395041 0.72 ESR1 (0.44) MAPTSMN1; SMN2ALDH1A1HSD11B1LMNA
SCHEMBL14276111 0.71 CYP3A4 (0.50) BACE1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL11299180 0.71 CYP3A4 (0.50) BACE1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL10529319 0.71 MAPT (0.49) BACE1MAPTSMN1; SMN2ALDH1A1CYP3A4

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-20090292034-A1 POLYCARBONATE FOAM THE FURUKAWA ELECTRIC CO., LTD. (JP) 2009-11-26 US disclosed