SCHEMBL9877878

SCHEMBL9877878

CCCC(c1ccc(C(=O)O)cc1OC)c1c[nH]c2ccc(C(O)C3CCCN(C)C3=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PLA2G4A P47712 1/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4A P27815 1/20 0.33
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL9527594 0.94 CCR2 (0.35) SLC6A4KDM2BMGAMGAASI
SCHEMBL9528162 0.89 CCR2 (0.35) SLC6A4MGAMGAASIMGAM2
SCHEMBL9527469 0.85 NPC1 (0.35) SLC6A4KDM2BNPC1RAB9ATSHR
SCHEMBL9526819 0.84 CCR2 (0.33) SLC6A4KDM2BMGAMGAASI
SCHEMBL9527072 0.84 B3GAT3 (0.34) KDM2BGPR84HTR1A
SCHEMBL9527895 0.83 HTR7 (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL9526686 0.81 NPC1 (0.36) SLC6A4NPC1RAB9ATSHRHTT
SCHEMBL9526603 0.79 CCR2 (0.34) MGAMGAASIMGAM2GPR84
SCHEMBL9527749 0.79 HTR1D (0.35) SLC6A4KDM2BRAB9A
SCHEMBL9527712 0.77 NPC1 (0.35) KDM2BNPC1RAB9ATSHRFFAR1

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-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed