SCHEMBL28708609

SCHEMBL28708609

Nc1ccc(COC(=O)c2ccc(CO)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAOA P21397 2/20 0.56
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4D Q08499 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.49

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
SCHEMBL18868430 0.93 KMT2A (0.71) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL1252397 0.84 KMT2A (0.76) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL1009228 0.84 KMT2A (0.76) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL1482628 0.84 KMT2A (0.76) KMT2AMEN1LMNASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL2146029 0.83 KMT2A (0.73) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL25547718 0.83 SMN1; SMN2 (0.69) KMT2AMEN1LMNASLC6A2SLC6A3
SCHEMBL5153381 0.82 KMT2A (0.79) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL29077042 0.81 KMT2A (0.56) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL28013890 0.81 KMT2A (0.56) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL22080438 0.80 KMT2A (0.69) KMT2AMEN1LMNACYP1A2CYP3A4

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
CN-109153841-B Resin composition 东丽株式会社 2021-12-31 CN disclosed