SCHEMBL28024607

SCHEMBL28024607

OCCNc1ccccc1.[Cu]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
RECQL P46063 1/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
KCNH3 Q9ULD8 3/20 0.50
KDM4E B2RXH2 4/20 0.48
POLB P06746 4/20 0.48
GAA P10253 2/20 0.48
MITF O75030 2/20 0.48
LMNA P02545 2/20 0.48
TTR P02766 1/20 0.48
GLA P06280 1/20 0.48
RAD52 P43351 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL8115 0.97 ALDH1A1 (0.64) ALDH1A1MAPTRECQLMCL1L3MBTL1
SCHEMBL27326258 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
Bromide SCHEMBL28400204 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
SCHEMBL28184176 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
SCHEMBL27943840 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
Water SCHEMBL11613453 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
SCHEMBL27937393 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
Hydrochloric Acid SCHEMBL1683326 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
SCHEMBL28075458 0.95 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMCL1L3MBTL1
Hydrochloric Acid SCHEMBL6328097 0.93 ALDH1A1 (0.58) ALDH1A1MAPTRECQLMCL1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104892644-A Synthetic method of chiral D-phenylglycinol copper chloride complex HEFEI XIANGCHEN CHEMICAL ENGINEERING CO LTD 2015-09-09 CN claimed
CN-104892644-A Synthetic method of chiral D-phenylglycinol copper chloride complex HEFEI XIANGCHEN CHEMICAL ENGINEERING CO LTD 2015-09-09 CN disclosed
CN-104892644-A Synthetic method of chiral D-phenylglycinol copper chloride complex HEFEI XIANGCHEN CHEMICAL ENGINEERING CO LTD 2015-09-09 CN disclosed