SCHEMBL8723606

SCHEMBL8723606

C=CC[n+]1cc(CC)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2A6 P11509 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL29561231 0.78 CA2 (0.39) KDM4ECA2TAAR1TP53ALOX5
SCHEMBL641259 0.78 CA2 (0.39) KDM4ECA2TAAR1TP53ALOX5
Iodide SCHEMBL4336770 0.76 SMN1; SMN2 (0.39) KDM4ECA2TAAR1TP53ALOX5
Bromide SCHEMBL11435482 0.76 CA2 (0.38) KDM4ECA2TAAR1TP53ALOX5
SCHEMBL8754932 0.76 KDM4E (0.37) KDM4E
SCHEMBL31229957 0.76 HDAC8 (0.37) KDM4ECA2TP53ALDH1A1
SCHEMBL9483912 0.76 HDAC8 (0.37) KDM4ECA2TP53ALDH1A1
Bromide SCHEMBL11771357 0.74 HDAC8 (0.36) KDM4ETP53ALDH1A1
Water SCHEMBL9445008 0.74 HDAC8 (0.36) KDM4ETP53ALDH1A1
Hydrochloric Acid SCHEMBL11428178 0.70 LPL (0.35) CA2TAAR1TP53ALOX5PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705269-A Modified activated carbon ELECTROPHOR, INC. (US) 1998-01-06 US disclosed
CN-1123700-A Modified bactericidal activated carbon ELECTROPHOR INC (US) 1996-06-05 CN disclosed