SCHEMBL11686356

SCHEMBL11686356

OCCCOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 13/20 0.73
LMNA P02545 6/20 0.72
MAPT P10636 6/20 0.72
CYP3A4 P08684 4/20 0.72
MAPK1 P28482 4/20 0.72
USP2 O75604 4/20 0.72
TP53 P04637 3/20 0.72
ABCB11 O95342 2/20 0.72
CYP1A2 P05177 2/20 0.72
ABCB1 P08183 2/20 0.72
HTR1A P08908 2/20 0.72
ADRA2A P08913 2/20 0.72
ADORA3 P0DMS8 2/20 0.72
CYP2D6 P10635 2/20 0.72
CHRM1 P11229 2/20 0.72
DRD2 P14416 2/20 0.72
ADRA2B P18089 2/20 0.72
ADRA2C P18825 2/20 0.72
NFKB1 P19838 2/20 0.72
CHRM3 P20309 2/20 0.72

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
Hydrochloric Acid SCHEMBL11686460 0.96 LMNA (0.72) FPR2LMNAMAPTCYP3A4MAPK1
Flupimazine SCHEMBL2109271 0.95 FPR2 (0.75) FPR2LMNAMAPTCYP3A4MAPK1
Flupimazine SCHEMBL11684459 0.94 LMNA (0.74) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL11690617 0.88 FPR2 (0.66) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL11689858 0.88 FPR2 (0.66) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL11685591 0.86 FPR2 (0.67) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL11686351 0.86 FPR2 (0.70) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL11686830 0.86 FPR2 (0.65) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL4273505 0.85 FPR2 (0.75) FPR2LMNAMAPTCYP3A4MAPK1
SCHEMBL13305131 0.85 FPR2 (1.00) FPR2LMNAMAPTCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129449-B1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL INT RESEARCH (NL) 2018-03-28 EP disclosed
US-9862905-B2 Diesel fuel with improved ignition characteristics SHELL OIL COMPANY (US) 2018-01-09 US disclosed
EP-3129449-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS Shell Internationale Research Maatschappij B.V. (NL) 2017-02-15 EP disclosed
WO-2015157207-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL OIL COMPANY (US) 2015-10-15 WO disclosed
US-20150284652-A1 DIESEL FUEL WITH IMPROVED IGNITION CHARACTERISTICS SHELL OIL COMPANY 2015-10-08 US disclosed
US-4018922-A NEUROLEPTICS, ANALGESICS, SPASMOLYTICS, AND ANTIHISTAMINES ROUSSEL-UCLAF (FR) 1977-04-19 US disclosed