SCHEMBL7089438

SCHEMBL7089438

O=C(O)CCCOc1ccccc1CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.55
LTB4R2 Q9NPC1 5/20 0.55
FFAR4 Q5NUL3 2/20 0.49
LMNA P02545 1/20 0.49
DHFR P00374 1/20 0.47
TSHR P16473 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL7087899 0.86 LTB4R (0.54) LTB4RLTB4R2FFAR4LMNADHFR
SCHEMBL8285810 0.85 LTB4R (0.57) LTB4RLTB4R2FFAR4LMNADHFR
SCHEMBL7086939 0.83 LMNA (0.59) LTB4RLTB4R2FFAR4LMNATSHR
SCHEMBL4752622 0.81 L3MBTL1 (0.63) SMN1; SMN2
SCHEMBL10335287 0.81 ALDH1A1 (0.48) LMNASMN1; SMN2
SCHEMBL9774142 0.81 HRH1 (0.60) LMNATSHRCYP2C9SMN1; SMN2
SCHEMBL7470362 0.80 LTB4R (0.62) LTB4RLTB4R2LMNADHFRCYP2C9
SCHEMBL24041887 0.80 HTR1A (0.54) DHFR
SCHEMBL17413764 0.79 FFAR1 (0.57) LTB4RLTB4R2FFAR4DHFRTHRA
SCHEMBL8072582 0.79 LTB4R (0.64) LTB4RLTB4R2LMNADHFRTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003068806-A1 SOLID PHASE PEPTIDE SYNTHESIS ON SILICA JOHNSON MATTHEY PLC (GB) 2003-08-21 WO claimed
WO-2003068806-A1 SOLID PHASE PEPTIDE SYNTHESIS ON SILICA JOHNSON MATTHEY PLC (GB) 2003-08-21 WO disclosed