SCHEMBL7175234

SCHEMBL7175234

CC(CCC/C=C/CCCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.52
TOP1 P11387 1/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL7175238 1.00 LTB4R (0.52) LTB4RTOP1TSHRCYP2D6CYP2C9
SCHEMBL15587062 0.87 LTB4R (0.59) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL8826605 0.87 LTB4R (0.59) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL3254192 0.87 LTB4R (0.59) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7385392 0.85 LTB4R (0.66) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL17027841 0.83 LTB4R (0.68) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL6971015 0.83 LTB4R (0.68) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL6344592 0.83 LTB4R (0.68) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL17027837 0.83 LTB4R (0.68) LTB4RTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7175350 0.82 GRIK1 (0.51) TOP1SMN1; SMN2MAPK1GRIK1

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-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP claimed