SCHEMBL1200514

SCHEMBL1200514

CCCCC/C=C/C=O.CCOC(C)OCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.43
FAAH O00519 5/20 0.42
TRPV1 Q8NER1 2/20 0.42
FASN P49327 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL466249 0.87 LMNA (0.48) TSHRALDH1A1LMNA
SCHEMBL159708 0.82
SCHEMBL15334193 0.82
SCHEMBL310029 0.82
SCHEMBL3673215 0.81 LMNA (0.46) TSHRALDH1A1LMNA
SCHEMBL3673217 0.81 LMNA (0.46) TSHRALDH1A1LMNA
Hexanal SCHEMBL10352184 0.81 TSHR (0.60) TSHRALDH1A1LMNAFAAHTRPV1
SCHEMBL8528742 0.80 TSHR (0.78) TSHRALDH1A1LMNAFAAHTRPV1
SCHEMBL10733360 0.80 TSHR (0.78) TSHRALDH1A1LMNAFAAHTRPV1
SCHEMBL18941609 0.80 TSHR (0.78) TSHRALDH1A1LMNAFAAHTRPV1

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-20110044936-A1 Composition for Attracting Bed Bugs FMC CORPORATION 2011-02-24 US disclosed