SCHEMBL15036617

SCHEMBL15036617

O=C(CCCCC(=O)OC1CC[C@@H]2OC2C1)OC1CCC2OC2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.34
BCHE P06276 2/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
TFPI2 P48307 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL109150 1.00 NAAA (0.45) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL14672859 0.98 NAAA (0.47) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL14672955 0.98 NAAA (0.47) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL8684435 0.94 NAAA (0.41) NAAASMN1; SMN2TSHRPPM1BLMNA
SCHEMBL11755781 0.93 TSHR (0.37) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL24368912 0.92 NAAA (0.40) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL13075371 0.92 NAAA (0.43) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL27840921 0.92 NAAA (0.43) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL26498415 0.88 NAAA (0.43) NAAASMN1; SMN2TSHRALDH1A1TP53
SCHEMBL15681517 0.88 NAAA (0.43) NAAASMN1; SMN2TSHRALDH1A1TP53

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
EP-2604638-A1 CURABLE RESIN COMPOSITION AND CURED ARTICLE THEREOF Daicel Chemical Industries, Ltd. (JP) 2013-06-19 EP disclosed