SCHEMBL10029448

SCHEMBL10029448

O=Cc1ccc(OCCCC(=O)O)c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FDPS P14324 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 2/20 0.40
ALB P02768 1/20 0.40
SERPINE1 P05121 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
SCHEMBL77752 0.83 FDPS (0.50) TSHRPTGDR2MAPTRAB9ACYP2C9
SCHEMBL15869791 0.82 FDPS (0.46) TSHRMAPTRAB9ACYP2C9NPC1
SCHEMBL7564490 0.82 RAB9A (0.56) TSHRPTGDR2MAPTRAB9ACYP2C9
SCHEMBL6313264 0.81 FFAR4 (0.49) TSHRPTGDR2MAPTRAB9ACYP2C9
SCHEMBL2559267 0.80 FDPS (0.72) TSHRMAPTRAB9ACYP2C9NPC1
SCHEMBL15372371 0.79 FDPS (0.58) TSHRMAPTRAB9ACYP2C9NPC1
SCHEMBL5214784 0.79 AKR1C3 (0.46) RAB9ACYP2C9NPC1NPSR1FDPS
SCHEMBL2554389 0.78 RAB9A (0.51) TSHRMAPTRAB9ACYP2C9NPC1
SCHEMBL13819778 0.77 ALDH1A1 (0.61) TSHRMAPTNPSR1FDPSALDH1A1
SCHEMBL20211804 0.77 RAB9A (0.50) MAPTRAB9ACYP2C9NPC1NPSR1

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-20120021933-A1 SMALL MOLECULE PRINTING PARK SEUNG BUM (US) 2012-01-26 US disclosed