SCHEMBL9864612

SCHEMBL9864612

CC(C)c1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
DHODH Q02127 1/20 0.47
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
BCAT2 O15382 1/20 0.44
PTGS2 P35354 1/20 0.43
KIF11 P52732 1/20 0.42
SLC6A2 P23975 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41

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
SCHEMBL4741406 0.87 DHODH (0.56) MEN1KMT2AUSP2LMNAMAPT
Hydrochloric Acid SCHEMBL5937171 0.86 DHODH (0.55) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL5937166 0.86 SLC6A3 (0.49) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL2563193 0.86 BCAT2 (0.65) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL6797969 0.83 SLC6A3 (0.71) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL29978969 0.83 SLC6A3 (0.71) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL14046253 0.82 MEN1 (0.50) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL8957561 0.82 HPGD (0.44) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL9864618 0.80 MAPT (0.40) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL9806272 0.80 MAPT (0.45) MEN1KMT2AUSP2LMNAMAPT

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
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP disclosed