SCHEMBL8334182

SCHEMBL8334182

CCOc1c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)cccc1CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
PTGS1 P23219 1/20 0.47
MAOB P27338 7/20 0.44
MAOA P21397 1/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL7181126 0.84 MAOB (0.46) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9203891 0.81 MAPT (0.73) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9203900 0.81 MAPT (0.73) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7180028 0.79 MAPT (0.43) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7185139 0.78 LMNA (0.47) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7191503 0.78 ABCG2 (0.57) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7191499 0.78 ABCG2 (0.57) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL9204757 0.76 MAPT (0.60) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7184382 0.75 LMNA (0.51) MAPTLMNAATMSMN1; SMN2KEAP1
SCHEMBL7184448 0.75 ABCG2 (0.44) MAPTLMNAATMSMN1; SMN2KEAP1

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-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed