SCHEMBL14735705

SCHEMBL14735705

C=C(C)C(=O)OC(=O)C(=C)C.ClCC=Cc1ccccc1.ClCC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.45
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
CACNA1B Q00975 1/20 0.37
POLB P06746 1/20 0.37
HDAC3 O15379 1/20 0.37
TNKS O95271 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL7177819 0.84 PAM (0.47) PAMGLATDP1MAOBIDO1
Methacrylic Acid SCHEMBL9580642 0.82 MEN1 (0.46) PAMMEN1KMT2ANPC1CACNA1B
SCHEMBL9580631 0.81 MEN1 (0.45) MEN1KMT2ANPC1POLBPLIN1
Styrene SCHEMBL9580863 0.78 PAM (0.41) PAMGLATDP1MAOBMEN1
1,1-Dichloroethene SCHEMBL9741142 0.78 PAM (0.48) PAMMAOBIDO1HDAC3TNKS
SCHEMBL75626 0.78 CACNA1B (0.50) PAMGLATDP1IDO1NPC1
SCHEMBL3468078 0.78 CACNA1B (0.50) PAMGLATDP1IDO1NPC1
SCHEMBL75625 0.78 CACNA1B (0.50) PAMGLATDP1IDO1NPC1
SCHEMBL8613596 0.77 PAM (0.46) PAMGLATDP1MAOBIDO1
SCHEMBL10760753 0.76 GLA (0.55) GLATDP1MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521846-B1 SERRS REACTIVE PARTICLES UNIV STRATHCLYDE (GB) 2013-03-06 EP claimed