SCHEMBL8772180

SCHEMBL8772180

CCOC(=O)c1cccc([C@@H](O)Cc2cccc(Br)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8772170 1.00 LTB4R (0.48) LTB4RSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8772152 0.88 LTB4R (0.47) LTB4RCYP4F2CYP4A11
SCHEMBL8772160 0.88 LTB4R (0.47) LTB4RCYP4F2CYP4A11
SCHEMBL16413141 0.80 CYP4F2 (0.50) SMN1; SMN2KDM4ENPC1RAB9ACYP4F2
SCHEMBL641761 0.75 CYP4F2 (0.54) SMN1; SMN2KDM4ENPC1RAB9ACYP4F2
SCHEMBL9431319 0.74 CYP4F2 (0.52) SMN1; SMN2KDM4ENPC1RAB9ACYP4F2
SCHEMBL4901644 0.74 TP53 (0.50) SMN1; SMN2KDM4ENPC1RAB9ATP53
SCHEMBL27974845 0.73 CYP4F2 (0.55) SMN1; SMN2KDM4ENPC1RAB9ACYP4F2
SCHEMBL8772253 0.72 NOS1 (0.44) LTB4R
SCHEMBL8772241 0.72 NOS1 (0.44) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801061-A2 Leucotrien-B4 derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0477311-A1 NEW LEUCOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
WO-1991014676-A1 NEW LEUCOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed