SCHEMBL3697508

SCHEMBL3697508

CC(CO)OC(=O)C1CC2C=CC1C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.34
THRB P10828 1/20 0.33
CETP P11597 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6861633 0.89 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL951662 0.88 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL6854793 0.84 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL2138834 0.84 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL9880127 0.84 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL952719 0.83 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL11800180 0.83 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL15412054 0.82 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL3690169 0.82 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL12228735 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHPGDPOLB

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
US-20100150506-A1 POLYMER OPTICAL WAVEGUIDE FORMING MATERIAL, POLYMER OPTICAL WAVEGUIDE AND MANUFACTURING METHOD OF POLYMER OPTICAL WAVEGUIDE NEC CORPORATION (JP) 2010-06-17 US disclosed
US-20100150506-A1 POLYMER OPTICAL WAVEGUIDE FORMING MATERIAL, POLYMER OPTICAL WAVEGUIDE AND MANUFACTURING METHOD OF POLYMER OPTICAL WAVEGUIDE NEC CORPORATION (JP) 2010-06-17 US disclosed