SCHEMBL4332000

SCHEMBL4332000

O=C(c1c(Cl)cccc1Cl)C(CCCCCCCCCP)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.37
FEN1 P39748 1/20 0.37
AKR1B1 P15121 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
SLC16A3 O15427 1/20 0.32
JAK2 O60674 1/20 0.31
CYP3A4 P08684 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KMT2A Q03164 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
TSHR P16473 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
SCHEMBL15487325 0.81 ALDH1A1 (0.39) ALDH1A1HPGDFEN1AKR1B1HDAC1
SCHEMBL356916 0.75 ALDH1A1 (0.44) ALDH1A1HPGDFEN1AKR1B1HDAC1
SCHEMBL356915 0.73 ALDH1A1 (0.42) ALDH1A1HPGDFEN1AKR1B1NPC1
SCHEMBL22769872 0.72 ALDH1A1 (0.48) ALDH1A1HPGDFEN1AKR1B1NPC1
SCHEMBL9114584 0.70 CA1 (0.43) ALDH1A1HPGDKMT2AMEN1DRD3
SCHEMBL7544739 0.67 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL5996817 0.66 ALDH1A1 (0.50) ALDH1A1HPGDFEN1AKR1B1NPC1
SCHEMBL5996812 0.66 FEN1 (0.53) ALDH1A1HPGDFEN1AKR1B1NPC1
SCHEMBL9113167 0.66 DRD3 (0.42) ALDH1A1HPGDFEN1NPC1GLA
SCHEMBL29529627 0.66 FEN1 (0.45) ALDH1A1HPGDFEN1AKR1B1KMT2A

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-2088176-B1 Ink composition, inkjet recording method, printed material, and molded printed material FUJIFILM CORP (JP) 2014-01-29 EP disclosed
EP-2088176-A1 Ink composition, inkjet recording method, printed material, and molded printed material FUJIFILM Corporation (JP) 2009-08-12 EP disclosed