SCHEMBL996466

SCHEMBL996466

COC(=O)c1cccc(CO)c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 3/20 0.46
CFTR P13569 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL16952642 0.91 ALDH1A1 (0.49) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL316591 0.89 LMNA (0.53) ALDH1A1LMNATSHRKDM4EGLA
SCHEMBL2093835 0.83 ALDH1A1 (0.64) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL8478378 0.82 ALDH1A1 (0.50) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL16957659 0.82 ALDH1A1 (0.50) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL8482141 0.82 LMNA (0.47) ALDH1A1LMNATSHRKDM4EGLA
SCHEMBL28680548 0.81 ALDH1A1 (0.53) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL8485331 0.81 ALDH1A1 (0.49) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL2619294 0.81 MRGPRX4 (0.50) ALDH1A1LMNATSHRMAPK8MAPK9
SCHEMBL16955180 0.81 LMNA (0.49) ALDH1A1LMNATSHRMAPK8MAPK9

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
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2263700-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed