SCHEMBL30960418

SCHEMBL30960418

COCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
PDK2 Q15119 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 1/20 0.33
CA2 P00918 1/20 0.33
ITGA4 P13612 1/20 0.32
MAP2K7 O14733 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MALT1 Q9UDY8 1/20 0.31
ADRB2 P07550 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2142864 1.00 APEX1 (0.43) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30960419 1.00 APEX1 (0.43) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5035446 1.00 APEX1 (0.43) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL12624292 0.89 PDK2 (0.39) APEX1PDK2AR
SCHEMBL5329061 0.89 APEX1 (0.48) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30004248 0.89 APEX1 (0.48) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL25133482 0.88 PDK2 (0.41) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14287922 0.88 PDK2 (0.41) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL20872082 0.87 PDK2 (0.40) APEX1PDK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL20872220 0.87 PDK2 (0.40) APEX1PDK2ALDH1A1MAPTSMN1; 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
EP-3400264-B1 HYDROPHYLIC SEMICONDUCTING SINGLE-WALLED CARBON NANOTUBE INKS NAT RES COUNCIL CANADA (CA) 2024-07-03 EP disclosed