SCHEMBL11228049

SCHEMBL11228049

Cc1cc(O)n(CC(=O)O)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.47
APAF1 O14727 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL113242 0.82 LMNA (1.00) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL14097078 0.79 LMNA (0.68) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL11783550 0.79 LMNA (0.68) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL27553727 0.79 LMNA (0.68) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL18754429 0.79 LMNA (0.68) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL26926832 0.79 MAPK1 (0.49) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL15636583 0.78 LMNA (0.66) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL22932842 0.77 LMNA (0.64) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL3091100 0.77 LMNA (0.64) LMNATDP1L3MBTL1KDM4EALDH1A1
SCHEMBL587516 0.75

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
JP-57067564-A None JP disclosed
JP-S5767564-A PRODUCTION OF 1,3-DIMETHYL-4-BENZOYL-5-HYDROXYPYRAZOLE ISHIHARA SANGYO KAISHA LTD 1982-04-24 JP disclosed