SCHEMBL8412772

SCHEMBL8412772

Cc1cc(C)c(C(=O)CO)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CISD2 Q8N5K1 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL11490094 0.87 MEN1 (0.53) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL11053483 0.83 MEN1 (0.51) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL15135859 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL8412767 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL11210247 0.81 MEN1 (0.50) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL9064055 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL4219708 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL1770114 0.79 GSK3B (0.48) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL5885909 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL4320007 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP claimed
EP-0627476-B1 PHOTOPOLYMERIZATION INITIATOR COMPOSITION FOR VISIBLE RAY POLYMERIZABLE ADHESIVE ADELL CO LTD (JP) 1999-08-04 EP disclosed
EP-0627476-A1 PHOTOPOLYMERIZATION INITIATOR COMPOSITION FOR VISIBLE RAY POLYMERIZABLE ADHESIVE ADELL CO., LTD. (JP) 1994-12-07 EP disclosed