SCHEMBL2835547

SCHEMBL2835547

CN(C)c1cccc2c1OCC2C(=O)C1COc2c1cccc2N(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
P2RX7 Q99572 5/20 0.36
ACHE P22303 3/20 0.33
KDM4E B2RXH2 1/20 0.32
BCHE P06276 1/20 0.32
PSMB5 P28074 2/20 0.31
PSMB8 P28062 1/20 0.31
HTR6 P50406 1/20 0.30
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL2830167 0.84 MEN1 (0.35) GAAP2RX7ACHEBCHEPSMB5
SCHEMBL2838752 0.81 SMN1; SMN2 (0.36) GAAALDH1A1SMN1; SMN2TP53
SCHEMBL2838371 0.74 PSMB5 (0.47) GAAALDH1A1SMN1; SMN2ACHEKDM4E
SCHEMBL2838798 0.70 GAA (0.40) GAATSHRMAPTALDH1A1KDM4E
SCHEMBL2831418 0.69 ALDH1A1 (0.39) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL27432522 0.68 GLS (0.48) ALDH1A1SMN1; SMN2P2RX7PSMB5
SCHEMBL28233882 0.68 ACHE (0.33) GAAMAPTACHEKDM4E
SCHEMBL2835606 0.67 MAPT (0.41) GAAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL31609082 0.67 PSMB5 (0.47) ALDH1A1TP53PSMB5PSMB8
SCHEMBL20480715 0.64 HTR1A (0.39) GAAALDH1A1SMN1; SMN2P2RX7ACHE

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-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed