SCHEMBL6893975

SCHEMBL6893975

C=CC=CCCCC.C=CC=CCCCC.[Ru]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 2/20 0.50
FASN P49327 1/20 0.38
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 2/20 0.35
LPAR1 Q92633 1/20 0.35
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
GGPS1 O95749 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
SCHEMBL6893971 1.00 TSHR (0.50) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL50222 0.97
SCHEMBL27526741 0.97
SCHEMBL6474996 0.97
SCHEMBL50221 0.97
Charcoal, Activated SCHEMBL31543059 0.95
SCHEMBL11760854 0.95 TSHR (0.50) TSHRALDH1A1FASNFAAHTRPV1
Water SCHEMBL20580085 0.95
SCHEMBL4396162 0.95 TSHR (0.50) TSHRALDH1A1FASNFAAHTRPV1
Hydrogen Sulfide SCHEMBL28789251 0.95

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
EP-1459799-A1 METHOD FOR TREATING EXHAUST GAS CONTAINING VOLATILE HYDROCARBON, AND APPARATUS FOR PRACTICING SAID METHOD System Eng Service Co., Ltd. (JP) 2004-09-22 EP disclosed