SCHEMBL8435831

SCHEMBL8435831

CCOC(=O)Cc1ccccc1/C=N/OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PKM P14618 1/20 0.45
EGFR P00533 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40

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
SCHEMBL8343067 0.82 AKR1B1 (0.46) L3MBTL1ALDH1A1MAPTMEN1LMNA
SCHEMBL8416291 0.82 AKR1B1 (0.46) L3MBTL1ALDH1A1MAPTMEN1LMNA
SCHEMBL9016420 0.82 AKR1B1 (0.46) L3MBTL1ALDH1A1MAPTMEN1LMNA
SCHEMBL2038938 0.80 PKM (0.50) USP2L3MBTL1PKMCYP4F2CYP4A11
SCHEMBL8460117 0.80 ADRA1D (0.40) USP2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL13469228 0.80 ADRA1D (0.40) USP2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL68340 0.78 PKM (0.60) L3MBTL1PKMCYP4F2CYP4A11ALDH1A1
SCHEMBL851868 0.75 PTGER3 (0.55) PKMALDH1A1SMN1; SMN2TBXAS1KDM4E
SCHEMBL851869 0.75 PTGER3 (0.55) PKMALDH1A1SMN1; SMN2TBXAS1KDM4E
SCHEMBL24228532 0.75 ADRA1D (0.39) USP2CYP4F2CYP4A11ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11189580-A None JP disclosed
JP-H11189580-A PRODUCTION OF BENZYL BROMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1999-07-13 JP disclosed