SCHEMBL11035892

SCHEMBL11035892

O=C(C(O)c1ccccc1)C1(O)C=CC=C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 1/20 0.35
GLS O94925 4/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
SRC P12931 2/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL29144461 0.76 LMNA (0.43) LMNAMAPK1CES2CES1HPGD
Phenol SCHEMBL28156977 0.75 CA12 (0.37) LMNACES2KMT2A
SCHEMBL4395716 0.75 LMNA (0.36) LMNAMAPK1CES2CES1HPGD
SCHEMBL8758002 0.71 LMNA (0.41) LMNAMAPK1CES2CES1HPGD
Pyrrole SCHEMBL17760475 0.70 LMNA (0.37) LMNAMAPK1CES2CES1HPGD
SCHEMBL6752183 0.65 MEN1 (0.30) KMT2A
SCHEMBL123293 0.64 MAOB (0.33)
Mandelic Acid SCHEMBL388004 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL30437233 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL30015054 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD

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-0082117-B1 CHROMIUM COMPLEXES OF POLYAZO DYESTUFFS CIBA-GEIGY AG (CH) 1985-04-10 EP disclosed