SCHEMBL20520340

SCHEMBL20520340

CCC(C(=O)O)c1cccc2c(-c3ccccc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.49
PPARA Q07869 9/20 0.49
KCNQ2 O43526 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
HTR1A P08908 1/20 0.39
ADRA1A P35348 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
SCHEMBL9294341 0.89 KCNQ2 (0.53) PPARGPPARAKCNQ2MAPTKMT2A
SCHEMBL447136 0.82 CYP2C9 (0.48) PPARGPPARAHTTALDH1A1
SCHEMBL28455426 0.80 HPRT1 (0.42) PPARGPPARAMAPTHTTALDH1A1
SCHEMBL10345479 0.79 KCNQ2 (0.45) PPARGPPARAKCNQ2MAPTKMT2A
SCHEMBL11766705 0.79 PPARG (0.49) PPARGPPARAMAPTKMT2AALDH1A1
SCHEMBL2393158 0.78 AKR1C3 (0.48) KCNQ2MAPTHTTAKR1C3AKR1C2
SCHEMBL10456371 0.77 L3MBTL1 (0.43) MAPTKMT2AHTTL3MBTL1ALDH1A1
SCHEMBL21409442 0.77 KMT2A (0.40) PPARGPPARAKCNQ2MAPTKMT2A
SCHEMBL8366593 0.76 KMT2A (0.46) PPARGPPARAKCNQ2MAPTKMT2A
SCHEMBL29439167 0.75 AKR1C3 (0.44) PPARGPPARAKMT2AALDH1A1AKR1C3

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-20180282165-A1 METHOD OF FORMING A MULTILAYER STRUCTURE ROHM & HAAS ELECT MAT (US) 2018-10-04 US disclosed