SCHEMBL8533692

SCHEMBL8533692

Cc1c(Sc2c(O)cc(-c3ccccc3)oc2=O)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPN5 P54829 1/20 0.46
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FTO Q9C0B1 1/20 0.39
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL8538393 0.89 POLB (0.43) SMN1; SMN2POLBL3MBTL1PTPN5HTT
SCHEMBL6966155 0.84 SMN1; SMN2 (0.48) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6958076 0.80 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6958947 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6958434 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6965799 0.79 PTGES (0.51) SMN1; SMN2POLBL3MBTL1ABCB1KDM4E
SCHEMBL6961039 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6963608 0.79 MEN1 (0.50) SMN1; SMN2POLBL3MBTL1PTPN5HTT
SCHEMBL6956759 0.78 SMN1; SMN2 (0.45) SMN1; SMN2POLBL3MBTL1HTTABCB1
SCHEMBL6960421 0.78 KDM4E (0.48) SMN1; SMN2POLBL3MBTL1ABCB1KDM4E

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed