SCHEMBL9504607

SCHEMBL9504607

CCCCC[N]C(=O)N(CCC)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
DNM1 Q05193 6/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 4/20 0.31
CES1 P23141 4/20 0.31
EPHX2 P34913 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CNR1 P21554 1/20 0.30
AKR1B1 P15121 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL9506005 0.94 ALDH1A1 (0.33) ALDH1A1CA12CA1CA9
SCHEMBL9507679 0.87 CA12 (0.35) ALDH1A1EPHX2CA12CA1CA9
SCHEMBL7303961 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL9624062 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL3269675 0.75 ALDH1A1 (0.35) ALDH1A1DNM1CES2CES1EPHX2
SCHEMBL2016858 0.75 CA12 (0.42) ALDH1A1DNM1MEN1KMT2ACES2
SCHEMBL7305292 0.73 CA12 (0.45) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL8944531 0.73 CA12 (0.45) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL8392864 0.73 CA12 (0.45) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL7303196 0.71 MEN1 (0.43) ALDH1A1MEN1KMT2ACES2CES1

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-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP disclosed
EP-0434354-A1 Separation material for blood coagulation factor, preparation and use thereof KURITA WATER INDUSTRIES LTD. (JP) 1991-06-26 EP disclosed