SCHEMBL9308729

SCHEMBL9308729

CCOC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
ALDH1A1 P00352 4/20 0.58
POLB P06746 2/20 0.58
ELANE P08246 1/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HTT P42858 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL9030080 0.85 UTS2R (0.45) HPGDALDH1A1POLBRAB9AKMT2A
SCHEMBL9034399 0.83 HPGD (0.52) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL9029299 0.82 SMN1; SMN2 (0.54) HPGDALDH1A1POLBRAB9AMAPT
SCHEMBL9029289 0.82 SMN1; SMN2 (0.54) HPGDALDH1A1POLBRAB9AMAPT
SCHEMBL9309615 0.82 HPGD (0.51) HPGDALDH1A1POLBRAB9ATSHR
SCHEMBL9308546 0.81 MEN1 (0.53) HPGDALDH1A1RAB9ATSHRKMT2A
SCHEMBL6331720 0.80 ALDH1A1 (0.63) HPGDALDH1A1POLBELANERAB9A
SCHEMBL9307811 0.80 ALDH1A1 (0.55) HPGDALDH1A1POLBL3MBTL1KMT2A
SCHEMBL9307716 0.78 ALDH1A1 (0.49) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL9310714 0.76 HPGD (0.62) HPGDALDH1A1RAB9AMAPTTSHR

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed