SCHEMBL8524260

SCHEMBL8524260

CCCCc1cc(-c2nc(CCOc3ccc(C=O)cc3)cs2)cc(CCCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
ATP4A P20648 6/20 0.39
ATP4B P51164 6/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL6954172 0.82 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2PPARDPPARA
SCHEMBL8469663 0.80 PPARG (0.43) MAPTSMN1; SMN2PPARAALDH1A1LMNA
SCHEMBL9005970 0.78 PTPN2 (0.47) MAPTTP53SMN1; SMN2ATP4AATP4B
SCHEMBL6964861 0.74 CNR2 (0.39) MAPTTP53PPARDPPARA
SCHEMBL1856421 0.71 RAB9A (0.43) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL16297363 0.70 ATP4A (0.61) MAPTATP4AATP4BRAB9A
SCHEMBL510500 0.69 ALDH1A1 (0.73) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6960978 0.68 TP53 (0.42) MAPTTP53SMN1; SMN2PPARDPPARA
SCHEMBL3077169 0.67 ALDH1A1 (0.67) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL8468791 0.67 PPARG (0.45) SMN1; SMN2PPARAALDH1A1LMNARAB9A

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
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed