SCHEMBL28037741

SCHEMBL28037741

C[C@H](O)c1cccc(CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
UGT2B7 P16662 1/20 0.41
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 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
SCHEMBL26672647 1.00 TDP1 (0.45) TDP1CYP4F2CYP4A11LMNAKDM4E
SCHEMBL27939210 0.90 NOS1 (0.41) TDP1CYP4F2CYP4A11LMNAKDM4E
SCHEMBL1241139 0.86 TDP1 (0.46) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL3029503 0.85 KDM4E (0.45) LMNAKDM4EMEN1KMT2AUGT2B7
SCHEMBL5375384 0.84 MEN1 (0.44) LMNAKDM4EMEN1KMT2AUGT2B7
SCHEMBL8507901 0.84 TDP1 (0.48) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL28350499 0.83 LMNA (0.39) CYP4F2CYP4A11LMNAKDM4EMEN1
SCHEMBL31588647 0.83 LMNA (0.39) CYP4F2CYP4A11LMNAKDM4EMEN1
SCHEMBL25112424 0.83 CYP4F2 (0.44) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL196988 0.83 TAAR1 (0.53) TDP1LMNAKDM4EALDH1A1GAA

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
CN-105039433-A Method for producing (S)-hydroxy ethyl benzene ethanol through yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN claimed
CN-105039433-A Method for producing (S)-hydroxy ethyl benzene ethanol through yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN disclosed