SCHEMBL8437101

SCHEMBL8437101

OCCN(CC(O)CCl)CC(O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
P2RX3 P56373 1/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.32
PNP P00491 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL9476106 0.95 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5230532 0.81 CA1 (0.45) ALDH1A1CA1CA2CA9TSHR
SCHEMBL13333501 0.78 CA1 (0.43) ALDH1A1CA1CA2CA9TSHR
SCHEMBL8617028 0.78 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL32670384 0.77 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL17223961 0.76 KDM4E (0.49) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL17262610 0.75 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL32670448 0.75 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8437640 0.75 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2ACA1
SCHEMBL3279037 0.74 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929283-A HYDROXY AMINES; LOW IN IRRITATIVENESS TO THE SKIN AND HAIR AND EXCELLENT IN FOAMABILITY, AND CAN GIVE A PLEASANT FEELING TO THE USER'S SKIN KAO CORPORATION (JP) 1999-07-27 US disclosed
US-5801270-A Amine derivative and detergent composition containing the same KAO CORPORATION (JP) 1998-09-01 US disclosed
EP-0740651-B1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 1998-08-12 EP disclosed
EP-0740651-A1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1996-11-06 EP disclosed
WO-1995016664-A1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORPORATION (JP) 1995-06-22 WO disclosed