SCHEMBL9150792

SCHEMBL9150792

CCCCCCCCCCOC(CC(=O)OCC)c1ccc2oc3c(C(=O)OCC)cccc3c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.45
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TTR P02766 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CLEC4M Q9H2X3 1/20 0.36
NOD2 Q9HC29 1/20 0.35
THRB P10828 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9147978 0.86 LTB4R (0.45) LTB4RRAB9AALDH1A1KDM4ENPC1
SCHEMBL9150025 0.85 LTB4R (0.44) LTB4RRAB9AALDH1A1KDM4EGAA
SCHEMBL9150905 0.84 LTB4R (0.45) LTB4RRAB9AALDH1A1KDM4EGLA
SCHEMBL9150787 0.75 LTB4R (0.72) LTB4RRAB9AALDH1A1KDM4EGLA
SCHEMBL9149236 0.71 MAPT (0.39) LTB4RALDH1A1KDM4EGAANPC1
SCHEMBL9150020 0.70 LTB4R (0.71) LTB4RALDH1A1KDM4EGLAGAA
SCHEMBL9149095 0.70 TTR (0.46) RAB9AALDH1A1KDM4EGLAGAA
SCHEMBL9151115 0.70 CLEC4M (0.43) RAB9AALDH1A1KDM4EGLAGAA
SCHEMBL9150038 0.68 RAB9A (0.44) RAB9AALDH1A1KDM4EGLAGAA
SCHEMBL9150895 0.67 LTB4R (0.73) LTB4RALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed