SCHEMBL4755030

SCHEMBL4755030

COCCNC(=O)c1cc(C=O)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.41
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PYGL P06737 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4756920 0.86 KDM4E (0.42) HPGDPOLBHTTCA12CA1
SCHEMBL4757661 0.85 MEN1 (0.51) HPGDMAPK1KDM4EMEN1KMT2A
SCHEMBL4757867 0.85 MEN1 (0.48) HPGDMAPK1HTTCA12CA1
SCHEMBL4756900 0.79 HPGD (0.47) HPGDPOLBMAPK1HTTPTGS2
SCHEMBL3308517 0.77 ALDH1A1 (0.44) HPGDPOLBPTGS2CA12CA1
SCHEMBL4755662 0.77 SRC (0.37) HPGDMAPK1HTTKDM4EMEN1
SCHEMBL2560642 0.74 HPGD (0.56) HPGDPOLBHTTMEN1KMT2A
SCHEMBL4790131 0.74 DNM1 (0.43) HPGDPTGS2KDM4EMEN1KMT2A
SCHEMBL17748297 0.73 MAPK1 (0.58) HPGDPOLBMAPK1HTTCA12
SCHEMBL1984171 0.72 HMGB1 (0.55) HPGDMAPK1PTGS2KDM4EMEN1

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-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed