SCHEMBL4757696

SCHEMBL4757696

O=Cc1cc(Br)c(O)c(C(=O)N(CCO)CCO)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.41
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
LMNA P02545 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 3/20 0.33
ALDH1A3 P47895 2/20 0.33
ERN1 O75460 2/20 0.33
ALDH3A1 P30838 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MAPK1 P28482 1/20 0.32
RAF1 P04049 1/20 0.32
CA2 P00918 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL4757855 0.79 ALDH1A1 (0.41) LMNAALDH1A1ERN1MAPK1
SCHEMBL4756882 0.76 PTGS2 (0.46) PTPN1PTPN2PTPN6ALDH1A1MAPK1
SCHEMBL4756919 0.74 PTPN1 (0.69) PTPN1PTPN2PTPN6ERN1AKR1C4
SCHEMBL31497642 0.74 PTPN1 (0.69) PTPN1PTPN2PTPN6ERN1AKR1C4
SCHEMBL4757889 0.73 CA12 (0.46) PTPN1PTPN2PTPN6LMNAALDH1A1
SCHEMBL4756917 0.73 ERN1 (0.50) PTPN1PTPN2PTPN6ALDH1A1ERN1
SCHEMBL373244 0.71 ERN1 (0.52) PTPN1PTPN2PTPN6ALDH1A1ERN1
SCHEMBL23308705 0.69 TP53 (0.43) ALDH1A1CA2
SCHEMBL2511971 0.69 PTPN1 (0.45) PTPN1PTPN2PTPN6LMNAGFER
SCHEMBL4788121 0.69 PTP4A1 (0.47) PTPN1PTPN2PTPN6ALDH1A1ERN1

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