SCHEMBL8768557

SCHEMBL8768557

CC(SOC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGS1 P23219 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 1/20 0.38
MMP8 P22894 1/20 0.38
DAO P14920 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL30295822 0.86 CYP3A4 (0.43) KMT2ACYP2D6SRCHCAR2ALOX5
SCHEMBL7403222 0.80 KMT2A (0.41) KMT2ALMNAMAPTMMP8ALDH1A1
SCHEMBL913100 0.76 KMT2A (0.41) KMT2ACYP2D6LMNAALDH1A1CYP3A4
SCHEMBL5075498 0.73 KMT2A (0.42) KMT2ACYP2D6SRCHCAR2LMNA
SCHEMBL1959777 0.71 TSHR (0.46) KMT2ACYP2D6SRCALOX5LMNA
SCHEMBL9864220 0.71 ALOX5 (0.42) KMT2ACYP2D6HCAR2ALOX5LMNA
SCHEMBL6953010 0.69 CYP2D6 (0.46) CYP2D6SRCALOX5LMNAMAPK1
SCHEMBL28340407 0.69 CYP2D6 (0.41) KMT2ACYP2D6SRCALOX5LMNA
SCHEMBL12276770 0.69 KMT2A (0.34) KMT2ACYP2D6HCAR2LMNADAO
SCHEMBL24302355 0.69 ADRA2C (0.44) KMT2ACYP2D6LMNADAOALDH1A1

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-0633241-B1 Process for purifying diaryl carbonates GEN ELECTRIC (US) 1997-09-10 EP disclosed