SCHEMBL20169172

SCHEMBL20169172

Cc1ccc2c(c1)C(C(=O)O)c1ccccc1C2C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
EDNRA P25101 2/20 0.43
EDNRB P24530 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
HDAC4 P56524 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
PARP1 P09874 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PPIA P62937 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
SCHEMBL9449539 0.85 HDAC3 (0.44) LMNAEDNRAEDNRBKMT2APOLB
SCHEMBL10355854 0.82 EDNRA (0.50) LMNAEDNRAEDNRBKMT2ACES2
SCHEMBL11527593 0.82 EDNRA (0.50) LMNAEDNRAEDNRBKMT2ACES2
SCHEMBL9449550 0.82 ESR1 (0.40) LMNASMN1; SMN2KMT2APOLBMEN1
SCHEMBL8797526 0.81 TSHR (0.42) LMNAKMT2AMEN1
SCHEMBL8184983 0.81 TP53 (0.52) LMNASMN1; SMN2KMT2AHDAC4MEN1
SCHEMBL1149629 0.78 CHRNB2 (0.40) LMNASMN1; SMN2KMT2ACES2CES1
SCHEMBL8188873 0.77 ALDH1A1 (0.45) LMNAKMT2AGAAMEN1ALDH1A1
SCHEMBL8191725 0.77 KMT2A (0.49) LMNASMN1; SMN2KMT2AGAAPOLB
SCHEMBL8797377 0.77 TBXA2R (0.44) KMT2AGAAMEN1

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-9975841-B2 Large molecule and polymer flame retardants MEGAMATTER, INC. (US) 2018-05-22 US disclosed