SCHEMBL29953733

SCHEMBL29953733

CC(=O)c1sc(C(=O)O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
DAO P14920 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.38
LIG1 P18858 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BCL2L1 Q07817 1/20 0.37
ALOX15 P16050 1/20 0.37
CA5A P35218 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL23459994 0.85 GPR35 (0.50) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL1561317 0.82 OPRD1 (0.43) ALDH1A1KDM4EMAPTCYP3A4HPGD
SCHEMBL577651 0.80 MAPT (0.44) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL8929358 0.74 CYP3A4 (0.43) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5154649 0.73 GPR35 (0.52) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL13484615 0.71 GSK3B (0.40) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL3093344 0.70 DAO (0.65) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL577650 0.69 MAPT (0.45) ALDH1A1KMT2AKDM4EMAPTCYP3A4
SCHEMBL16334956 0.67 DAO (0.50) GPR35DAOALDH1A1MEN1KMT2A
SCHEMBL6179820 0.65 DAO (0.44) GPR35DAOALDH1A1MEN1KMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed