SCHEMBL7201621

SCHEMBL7201621

CCCCCCCCCCCCCCN(C(=O)O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.51
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
NR5A1 Q13285 1/20 0.46
STAT3 P40763 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
HSD17B3 P37058 5/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RNF4 P78317 1/20 0.40

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
SCHEMBL7201373 1.00 LTA4H (0.51) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7195885 1.00 LTA4H (0.51) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7200496 1.00 LTA4H (0.51) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7197445 0.88 LTA4H (0.50) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7198023 0.88 LTA4H (0.50) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7197819 0.87 LTB4R2 (0.54) NPC1JAK2RAB9APAX8LTB4R2
SCHEMBL7195860 0.87 LTB4R2 (0.54) NPC1JAK2RAB9APAX8LTB4R2
SCHEMBL7197804 0.85 LTA4H (0.48) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL7197913 0.85 LTA4H (0.48) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL9000287 0.83 NPC1 (0.48) NPC1JAK2RAB9APAX8LTB4R2

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
US-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed