SCHEMBL7087899

SCHEMBL7087899

NCCc1ccccc1OCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.54
LTB4R2 Q9NPC1 5/20 0.54
HRH1 P35367 1/20 0.50
DHFR P00374 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CYP2C9 P11712 1/20 0.44
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

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
SCHEMBL7089438 0.86 LTB4R (0.55) LTB4RLTB4R2DHFRLMNASMN1; SMN2
SCHEMBL9836686 0.82 L3MBTL1 (0.61) HRH1TAAR1SMN1; SMN2HPGD
SCHEMBL9774142 0.79 HRH1 (0.60) HRH1LMNASMN1; SMN2HPGDTSHR
SCHEMBL7470362 0.79 LTB4R (0.62) LTB4RLTB4R2DHFRLMNACYP2C9
SCHEMBL7957917 0.78 TAAR1 (0.56) HRH1TAAR1LMNASMN1; SMN2HPGD
SCHEMBL28157802 0.78 GAA (0.62) LMNASMN1; SMN2TSHRFFAR4
SCHEMBL17413764 0.78 FFAR1 (0.57) LTB4RLTB4R2DHFRTHRATHRB
SCHEMBL8072582 0.78 LTB4R (0.64) LTB4RLTB4R2DHFRLMNATHRA
SCHEMBL8285810 0.78 LTB4R (0.57) LTB4RLTB4R2DHFRLMNATHRA
SCHEMBL17413766 0.77 LTB4R (0.60) LTB4RLTB4R2DHFRFFAR4CYP2C9

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