SCHEMBL9264758

SCHEMBL9264758

CCCCCCCCCCOc1ccccc1CC[C]=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
PPARD Q03181 1/20 0.44
HPGD P15428 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
SCHEMBL3210770 0.94 PPARD (0.49) MAPTLTB4RLTB4R2L3MBTL1NPSR1
SCHEMBL910856 0.89 L3MBTL1 (0.49) MAPTSLC6A3LTB4RLTB4R2L3MBTL1
SCHEMBL9833768 0.86 L3MBTL1 (0.46) MAPTLTB4RLTB4R2L3MBTL1NPSR1
SCHEMBL9260429 0.84 MAPT (0.51) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL11043183 0.84 LTB4R (0.57) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL11341195 0.84 LTB4R (0.53) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL6547809 0.84 LTB4R (0.57) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL6550074 0.84 LTB4R (0.57) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL9489161 0.84 LTB4R (0.57) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL16933732 0.84 LTB4R (0.53) MAPTMEN1NR1I2LMNACHRM2

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
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 WO disclosed