SCHEMBL13780486

SCHEMBL13780486

C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)OC2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.46
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
HPGD P15428 1/20 0.37
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL8930251 0.94 TSHR (0.42) STSHTTALDH1A1SCN1ASCN2A
SCHEMBL12896246 0.90 TSHR (0.38) STSHTTALDH1A1MAPTSCN1A
SCHEMBL13637046 0.89 PTPN2 (0.38) STSHTTALDH1A1MAPTSCN1A
SCHEMBL24599285 0.89 STS (0.48) STSHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL18410880 0.89 STS (0.48) STSHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL13139513 0.88 PTPN2 (0.39) STSHTTALDH1A1TSHRCYP3A4
SCHEMBL22351373 0.83 STS (0.33) STSHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL13917592 0.83 TSHR (0.50) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL14072871 0.83 TSHR (0.50) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10078016 0.83 TSHR (0.50) HTTALDH1A1SMN1; SMN2MAPTLMNA

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-2009093718-A2 METHOD OF PRODUCING A PATTERNED BIREFRINGENT PRODUCT AND BIREFRINGENT PRODUCT FUJIFILM CORPORATION (JP) 2009-07-30 WO disclosed